Research Publications
Automatically updated information about our publications can be found at the following websites:
A manually annotated selected publication list (with links to PubMed abstracts and other commentaries, book chapters, resources, etc.) can be found below
Pre-prints and manuscripts under review
Kesarwani, P. and Sundar, D.* (submitted). Conformational changes induced by K949A mutation in the CRISPR/Cpf1 complex drives an effective target-binding mechanism.
Malik, V., Dutta, S., Radhakrishnan, N., Kalakoti, Y., Gupta, R. and Sundar, D.* (submitted). Autoencoder and NCA based neural network model to estimate survival prognosis in multiple myeloma using arrayCGH data.
Sharma, J., Kalakoti, Y., Sundar, D. and Srivastava, P. (in preparation). Improved production of glycolipid biosurfactant by recombinant Franconibacter sp. IITDAS19.
Kulshreshtha, P., Katiyar, R., Zargar, A.N., Kesarvani, P., Chavan, M., Bandyopadhyay, B., Chatterjee, D., Sundar, D., Rathore, A.S. and Srivastava, P. (in preparation). A novel multi copper oxidase from Micrococcus sp. IITD107 useful for Polypropylene and Polyethylene biodegration.
Radhakrishnan, N., Kaul, S.C., Wadhwa, R., Yang, L.W. and Sundar, D.* (in preparation). Experimental evidence-based atomistic model for stratum corneum lipid matrix for skin permeation studies.
Shefrin, S., Kaul, S.C., Wadhwa, R. and Sundar, D.* (in preparation). Computational identification of natural ATP-competitive and allosteric inhibitors of alpha protein kinase-B1/AKT1.
The GenomeIndia Consortium (submitted). The GenomeIndia Project: Mapping genetic diversity with 10,000 Indian genomes.
Year 2024
Kalakoti, Y., Gawande, S. and Sundar, D.* (2024) Estimating protein-ligand interactions with geometric deep learning and mixture density models. Journal of Biosciences (DOI: 10.1007/s12038-024-00478-z)
[Earlier version of this paper was posted on bioRxiv: 560738]
Shenoy, A., Kalakoti, Y., Sundar, D. and Elofsson, A. (2024). M-Ionic: Prediction of metal ion binding sites from sequence using residue embeddings. Bioinformatics 40(1):btad782.
Peter, S.C., Kalakoti, Y. and Sundar, D.* (2024). Identifying high-quality leads among screened anticancerous compounds using SMILES representations. ACS Omega 9(28):30645-30653.
Yadav, S., Vora, D.S., Sundar, D. and Dhanjal, J.K. (2024). TCR-ESM: Employing protein language embeddings to predict TCR-peptide-MHC binding. Computational and Structural Biotechnology Journal 23: 165-173.
Vora, D.S., Bhandari, S.M. and Sundar, D.* (2024). DNA shape features improve prediction of CRISPR/Cas9 activity. Methods 226(6): 120-126.
Kumar, V., Shefrin, S. and Sundar, D.* (2024). Molecular insights into the binding interactions and energetics of the Omicron spike variant with hACE2 and a neutralizing antibody. Journal of Structural Biology 216(2): 108087.
Deedwania, A., Karmakar, S., Kumar, V., Shefrin, S., Sundar, D.* and Srivastava, P. (2024). Construction and characterization of a temperature-sensitive pRC4 replicon for Rhodococcus and Gordonia. Gene 896: 147990.
Kumar, V., Sari, A.N., Gupta, D., Ishida, Y., Terao, K., Kaul, S.C., Vrati, S., Sundar, D.* and Wadhwa, R. (2024). Anti-COVID-19 potential of withaferin-A and caffeic acid phenethyl ester. Current Topics in Medicinal Chemistry (DOI: 10.2174/ 0115680266280720231221100004)
Wadhwa, R., Wang, J., Shefrin, S., Zhang, H., Sundar, D.* and Kaul, S.C. (2024). Molecular insights into the anticancer activity of Withaferin-A: inhibition of Survivin signaling. Cancers 16(17): 3090.
Kumar, V., Dhanjal, J.K., Sari, A.N., Khurana, M., Kaul, S.C., Wadhwa, R. and Sundar, D.* (2024). Effect of Withaferin-A, Withanone and Caffeic Acid Phenethyl Ester (CAPE) on DNA methyltransferases: potential in epigenetic cancer therapy. Current Topics in Medicinal Chemistry 24(4): 379-391.
Kaushal, S., Gupta, S., Shefrin, S., Vora, D.S., Kaul, S.C., Sundar, D., Wadhwa, R. and Dhanjal, J.K. (2024). Synthetic and natural inhibitors of mortalin for cancer therapy. Cancers (accepted)
Huifu, J., Shefrin, S., Yang, S., Zhang, Z., Kaul, S.C., Sundar, D.* and Wadhwa, R. (2024). Cucurbitacin-B inhibits cancer cell migration through targeting of Mortalin and HDM2: computational and in vitro experimental evidence. J. Biomolecular Structure and Dynamics 42(5): 2643-2652. [Epub 2023 May 02].
Nazim, T., Kumar, V., Ahmed, F., Ehtesham, N.Z., Hasnain, S.E., Sundar, D.* and Grover, S. (2024). Computational analysis of RNA methyltransferase Rv3366 as a potential drug target for combating drug-resistant Mycobacterium tuberculosis. Frontiers in Molecular Biosciences 10:1348337.
Nazim, T., Kumar, V., Ahmed, F., Ehtesham, N.Z., Hasnain, S.E., Sundar, D.* and Grover, S. (2024). Investigating the interaction pattern of FDA approved compounds with Mycobacterium tuberculosis GidB to understand their potential as antibiotics. J. Biomolecular Structure and Dynamics (accepted)
Year 2023
Kalakoti, Y., Peter, S.C., Gawande, S. and Sundar, D.* (2023). Modulation of DNA-protein interactions by proximal genetic elements as uncovered by interpretable deep learning. Journal of Molecular Biology 435(13): 168121.
Kesarwani, P., Vora, D.S. and Sundar, D.* (2023). An improved machine learning-based model for the classification of off-targets in the CRISPR/Cpf1 system. ACS Omega 8(48): 45578-45588.
Vora, D.S., Yadav, S. and Sundar, D.* (2023). Hybrid multitask learning reveals sequence features driving specificity in CRISPR/Cas9 system. Biomolecules 13(4): 641.
Vora, D.S., Jaiswal, A.K. and Sundar, D.* (2023). Implementing accelerated dynamics to unravel the effects of high-fidelity Cas9 mutants on target DNA and guide RNA hybrid stability. J. Biomolecular Structure and Dynamics 41(13): 6178-6190. [Epub 2022 Jul 26]
Vora, D.S., Kalakoti, Y. and Sundar, D.* (2023). Computational methods and deep learning for elucidating protein interaction networks. Methods in Molecular Biology 2553: 285-323.
Mahar, N.S., Satyam, R., Gupta, I. and Sundar, D. (2023). A systematic comparison of human mitochondrial genome assembly tools. BMC Bioinformatics 24: 341.
Kumar, V., Meidinna, H.N., Gupta, D., Ishida, Y., Terao, K., Kaul, S.C., Vrati, S., Sundar, D.* and Wadhwa, R. (2023). Molecular insights to the anti-COVID-19 potential of α-, β- and γ-Cyclodextrins. J. Biomolecular Structure and Dynamics (doi: 10.1080/07391102.2023.2294385).
Kumar, V., Sari, A.N., Meidinna, H.N., Kaul, A., Basu, B., Ishida, Y., Terao, K., Kaul, S.C., Vrati, S., Sundar, D.* and Wadhwa, R. (2023). Computational and experimental evidence to the anti-COVID-19 potential of honeybee propolis ingredients, caffeic acid phenethyl ester and artepillin c. Phytotherapy Research 37(9): 3651-3654.
Rathi, A., Kumar, V. and Sundar, D.* (2023). Insights into the potential of withanolides as as Phosphodiesterase-4 (PDE4D) inhibitors. J. Biomolecular Structure and Dynamics 41(6): 2108-2117. [Epub 2022 Jan 21].
Singh, J., Quadir, N., Vashishtha, S., Chakraborty, A., Alam, A., Kundu, B., Ahmad, U., Sundar, D., Ehtesham, N., and Hasnain, S.E. (2023). Polypharmacological repurposing approach identifies approved drugs as potential inhibitors of Mycobacterium tuberculosis. Biochemical Journal 480(14): 1079-1096.
Sharma, J., Sundar, D.* and Srivastava, P. (2023). Advantages and disadvantages of biosurfactants over other synthetic surfactants. In: Advancements in Biosurfactants Research, In: Aslam, R., Mobin, M., Aslam, J., Zehra, S. (Eds.), pp. 505-523, Springer, Cham. (eBook ISBN: 978-3-031-21682-4) (Hardcover ISBN: 978-3-031-21681-7)
Year 2022
Kalakoti, Y., Yadav, S. and Sundar, D.* (2022). TransDTI: Transfomer-based language models for estimating DTIs and building a drug-recommendation workflow. ACS Omega 7(3): 2706-2717.
Kalakoti, Y., Yadav, S. and Sundar, D.* (2022). Deep Neural Network-assisted drug recommendation systems for identifying potential Drug-Target Interactions. ACS Omega 7(14): 12138-12146.
[Also featured in the special ACS collection entitled 'Diving into the Deep End: Machine Learning for the Chemist']
Vora, D.S., Verma, Y. and Sundar, D.* (2022). A machine learning approach to identify the importance of novel features for CRISPR/Cas9 activity prediction. Biomolecules 12(8): 1123.
Dhanjal, J.K., Vora, D.S., Radhakrishnan, N. and Sundar, D.* (2022). Computational approaches for designing highly specific and efficient sgRNAs. Methods in Molecular Biology 2349: 147-166.
Malik, V., Radhakrishnan, N., Kaul, S.C., Wadhwa, R. and Sundar, D.* (2022). Computational identification of BCR-ABL oncogenic signalling as a candidate target of Withaferin-A and Withanone. Biomolecules 12(2): 212.
Radhakrishnan, N., Kaul, S.C., Wadhwa, R. and Sundar, D.* (2022). Phosphatidylserine exposed lipid bilayer models for understanding cancer cell selectivity of natural compounds: a molecular dynamics simulation study. Membranes 12(1): 64.
Shefrin, S., Sari, A.N., Kumar, V., Zhang, H., Meidinnia, H.N., Kaul, S.C., Wadhwa, R. and Sundar, D.* (2022). Comparative computational and experimental analyses of some natural small molecules to restore transcriptional activation function of p53 in cancer cells harbouring wild type and p53-Ser46 mutant. Current Research in Structural Biology 4: 320-331.
Meidinna, H, N., Shefrin, S., Sari, A.N., Zhang, H., Dhanjal, J.K., Kaul, S.C., Sundar, D.* and Wadhwa, R. (2022). Identification of a new member of Mortaparib class of inhibitors that target mortalin and PARP1. Frontiers in Cell and Developmental Biology 10: 918970.
Sari, A.N., Dhanjal, J.K., Elwakeel, A., Kumar, V., Meidinnia, H.N., Zhang, H., Ishida, Y., Terao, K., Sundar, D., Kaul, S.C. and Wadhwa, R. (2022). A low dose combination of Withaferin-A and Caffeic Acid Phenethyl Ester possesses anti-metastasis potential in vitro: molecular targets and mechanisms. Cancers 14: 787.
Kumar, V., Dhanjal, J.K., Kaul, A., Wang, J., Zhang, H., Bhargava, P. Kaul, S.C., Wadhwa, R. and Sundar, D.* (2022). Withanone and Withaferin-A have ability to inhibit Transmembrane Protease Serine 2 (TMPRSS2) to block the entry of SARS-CoV-2 into the cells. J. Biomolecular Structure and Dynamics 40(1): 1-13. [Epub 2020 Jun 16]
IITD News, Vigyan Prasar COVID Newsletter, Vigyan Prasar COVID News Bulletin (English, 20200523), Vigyan Prasar COVID News Bulletin (Hindi, 20200523)
Kalra, R.S., Kumar, V., Dhanjal, J.K., Garg, S., Li, X., Kaul, S.C., Sundar, D.*, and Wadhwa, R. (2022). COVID19-inhibitory activity of withanolides involves targeting of the host cell surface receptor ACE2: Insights from computational and biochemical assays. J. Biomolecular Structure and Dynamics 40(17): 7885-7898. [Epub 2021 Apr 2]
Quadir, N., Singh, J., Alam, A., Malik, A.A., Rahman, S.A., Hira, S., Ehtesham, N.Z., Sundar, D.* and Hasnain, S.E. (2022). Evolution of SARS-CoV-2: BA.4/BA.5 variants continues to pose new challenges. Viruses 14(12): 2610.
Sharma, J, Kalakoti, Y., Srivastava, P. and Sundar, D.* (2022). Genome sequence of a potent biosurfactant producing bacterium Franconibacter sp. IITDAS19. Microbiology Resource Announcements e0041922. (DOI:10.1128/mra.00419-22) [Epub 2022 Jul 18].
Sharma, J, Kapley, A., Sundar, D. and Srivastava, P. (2022). Characterization of a potent biosurfactant produced from Franconibacter sp. IITDAS19 and its application in enhanced oil recovery. Colloids and Surfaces B: Biointerfaces 214: 112453.
Year 2021
Malik, V., Kumar, V., Kaul, S.C., Wadhwa, R. and Sundar, D.* (2021). Potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl Ester as ATP-competitive inhibitor of BRAF: a bioinformatics study. Current Research in Structural Biology 3: 301-311.
Malik, V., Kalakoti, Y. and Sundar, D.* (2021). Deep learning assisted multi-omics integration for survival and drug response prediction in breast cancer. BMC Genomics 22(1): 214.
Kalakoti, Y., Yadav, S. and Sundar, D.* (2021). SurvCNN: a discrete time-to-event cancer survival estimation framework using image representations of omics data. Cancers 13: 3106.
Prakrithi, P., Lakra, P., Sundar, D., Kapoor, M., Mukherji, M., Gupta, I. and The Indian Genome Variation Consortium. (2021). Genetic risk prediction of COVID-19 susceptibility and severity in the Indian population. Frontiers in Genetics 12:714185.
[Earlier version of this paper was posted on medRxiv: 21255447]
Kumar, V., Singh, J., Hasnain, S.E. and Sundar, D.* (2021). Possible link between higher transmissibility of Alpha, Kappa and Delta variants of SARS-CoV-2 and increased structural stability of its spike protein and hACE2 affinity. International Journal of Molecular Sciences 22(17): 9131.
[Earlier version of this paper with a different title was posted on bioRxiv: 441933]
Singh, J., Samal, J., Kumar, V., Sharma, J., Agarwal, U., Ehtesham, N.Z., Sundar, D.*, Rahman, S.A., Hira, S. and Hasnain, S.E. (2021). Structure-function analyses of new SARS-CoV-2 variants B.1.1.7, B.1.351 and B.1.1.28.1: Clinical, diagnostic, therapeutic and public health implications. Viruses 13(3): 439.
Press coverage of the publication - Article 1, Article 2
Kumar, V., Dhanjal, J.K., Kaul, S.C., Wadhwa, R. and Sundar, D.* (2021). Withanone and Caffeic Acid Phenethyl Ester are predicted to interact with Main Protease (Mpro) of SARS-CoV-2 and inhibit its activity. J. Biomolecular Structure and Dynamics 39(11): 3842-3854. [Epub 2020 Jun 1]
Dhanjal, J.K., Kumar, V., Garg, S., Subramani, C., Agarwal, S., Wang, J., Zhang, H., Kaul, A., Kalra, R.S., Kaul, S.C., Vrati, S., Sundar, D.* and Wadhwa, R. (2021). Molecular mechanism of anti-SARS-CoV-2 activity of Ashwagandha-derived withanolides. International Journal of Biological Macromolecules 184: 297-312.
Kumar, V., Sari, A.N., Meidinna, H.N., Dhanjal, J.K., Subramani, C., Basu, B., Kaul, A., Vrati, S., Sundar, D.* and Wadhwa, R. (2021). Computational and in vitro experimental analyses of the anti-COVID-19 potential of Mortaparib and MortaparibPlus. Bioscience Reports 41(10):BSR20212156.
Wadhwa, R., Yadav, N.S., Katiyar, S.P., Yaguchi, T., Lee, C., Ahn, H., Yun, C.O., Kaul, S.C. and Sundar, D.* (2021). Molecular dynamics simulations and experimental studies reveal differential permeability of withaferin-A and withanone across the model cell membrane. Scientific Reports 11(1): 2352.
[Earlier version of this paper with a different title was posted on bioRxiv: 802645]
Radhakrishnan, N., Dhanjal, J.K., Sari, A.N., Ishida, Y., Terao, K., Kaul, S.C., Sundar, D.* and Wadhwa, R. (2021). Caffeic Acid Phenethyl Ester (CAPE) confers wild type p53 function in p53Y220C mutant: bioinformatics and experimental evidence. Discover Oncology 12: 64.
Malik, V., Kumar, V., Kaul, S.C., Wadhwa, R. and Sundar, D.* (2021). Computational insights into the potential of Withaferin-A, Withanone and Caffeic Acid Phenethyl Ester for treatment of aberrant-EGFR driven lung cancers. Biomolecules 11(2): 160.
Sari, A.N., Elwakeel, A., Dhanjal, J.K., Kumar, V., Sundar, D., Kaul, S.C. and Wadhwa, R. (2021). Identification and characterization of MortaparibPlus - a novel triazole derivative that targets mortalin-p53 interaction and inhibits proliferation of cancer cells by wild type p53-dependent and -independent mechanisms. Cancers 13: 835.
Elwakeel, A., Sari, A., N., Dhanjal, J.K., Meidinna, H.Z., Sundar, D., Kaul, S.C. and Wadhwa, R. (2021). Mutant p53L194F harboring Luminal-A breast cancer cells are refractory to apoptosis and cell cycle arrest in response to MortaparibPlus, a multimodal small molecular inhibitor. Cancers 13: 3043.
Sharma, J., Sundar, D.* and Srivastava, P. (2021). Biosurfactants: potential agents for controlling cellular communication, motility, and antagonism. Frontiers in Molecular Biosciences 8:727070.
Year 2020
Wadhwa, R., Dhanjal, J.K., Kumar, V., Kaul, S.C. and Sundar, D.* (2020). Why Ashwagandha for prevention and treatment of COVID-19? Applied Microbiology 6(3): 176.
Dhanjal, J.K., Dammalapati, S., Pal, S. and Sundar, D.* (2020). Evaluation of off-targets predicted by sgRNA design tools. Genomics 112: 3609-3614.
Lecture on 'CRISPR/Cas9 in drug discovery' delivered for Drug Discovery Hackathon (DDH2020). For details on DDH2020, click here, for Flyer, Click here. for YouTube video that was livestreamed, Click here.
Vora, D.S., Dhanjal, J.K. and Sundar, D.* (2020). Engineering of Cas9 for improved functionality. In: Genome Engineering via CRIPSR-Cas9 Systems, Singh, V. and Dhar, P.K. (Eds.), pp. 111-122, Elsevier (Book ISBN: 978-0-12-818140-9)
Sari, A.N., Bhargava, P., Dhanjal, J.K., Putri, J.F., Radhakrishnan, N., Shefrin, S., Ishida, Y., Terao, K., Sundar, D., Kaul, S.C. and Wadhwa, R. (2020). Combination of Withaferin-A and CAPE provides superior anticancer potency: bioinformatics and experimental evidence to their molecular targets and mechanism of action. Cancers 12(5): 1160.
Garg, S., Huifu, H., Kumari, A., Sundar, D., Kaul, S.C. and Wadhwa, R. (2020). Induction of senescence in cancer cells by a novel combination of Cucurbitacin B and Withanone (CucWi-N): Molecular mechanism and therapeutic potential. Journal of Gerontology 75(6): 1031-1041.
Malik, V., Garg, S., Afzal, S., Dhanjal, J.K., Yun, C.O., Kaul, S.C., Sundar, D.* and Wadhwa, R. (2020). Bioinformatics and molecular insights to anti-metastasis acivity of Triethylene Glycol derivatives. International Journal of Molecular Sciences 21(15): 5463.
Kumar, A., Gupta, R., Mathur, N., Iyer, V.K., Thulkar, S., Prasad, C.P., Das, P., Rani, L., Maqbool, M., Shukla, N.K., Pal, S., Sundar, D. and Sharma, A. (2020). Microarray based gene expression profiling of advanced gall bladder cancer. Experimental Oncology 42(4): 277-284.
Year 2019
Dhanjal, J.K., Radhakrishnan, N. and Sundar, D.* (2019). CRISPcut: a webserver for designing optimal sgRNAs for CRISPR/Cas9 based experiments in human cells. Genomics 111(4): 560-566.
Malik, V., Dutta, S., Kalakoti, Y. and Sundar, D.* (2019). Multi-omics integration based predictive model for survival prediction of lung adenocarcinoma. IEEE Xplore 9071831. (All the codes used for this study can be accessed at https://github.com/SundarLab-IITD/Multiomics-LUAD)
Bhargava, P., Malik, V., Liu, Y., Ryu, J., Kaul, S.C., Sundar, D.* and Wadhwa, R. (2019). Molecular insights to Withaferin A-induced senescence: bioinformatics and experimental evidence to the role of NF-kappaB and CARF. Journal of Gerontology 74(2): 183-191.
Chaudhary, A., Kalra, R.S., Malik, V., Katiyar, S.P., Sundar, D.*, Kaul, S.C. and Wadhwa, R. (2019). 2,3-dihydro-3β-methoxy Withaferin-A lacks anti-metastasis potency: Bioinformatics and experimental evidences. Scientific Reports 9(1): 17344.
Sundar, D., Katiyar, S.P., Yu, Y., Putri, J., Dhanjal, J.K., Wang, J., Sari, A.N., Kolettas, E., Kaul, S.C, and Wadhwa, R. (2019). Wild type p53 function in p53Y220C mutant harboring cells by treatment with Ashwagandha-derived anticancer withanolides: Bioinformatics and experimental evidence. Journal of Experimental and Clinical Cancer Research 38: 103.
Press coverage of the publication - Article 1, Article 2, Article 3, IITD News
Garg, S., Afzal, S., Elwakeel, A., Sharma, D., Radhakrishnan, N., Dhanjal, J.K., Sundar, D., Kaul, S.C. and Wadhwa, R. (2019). Marine carotenoid Fucoxanthin possesses anti-metastasis activity: molecular evidence. Marine Drugs 17(6): 338.
Purti, J., Bhargava, P., Dhanjal, J.K., Yaguchi, T., Sundar, D., Kaul, S.C. and Wadhwa, R. (2019). Mortaparib, a novel dual inhibitor of mortalin (mthsp70) and PARP1 as a potential drug candidate for ovarian and cervical cancer. Journal of Experimental and Clinical Cancer Research 38: 499.
Konhar, R., Debnath, M., Bhattacharjee, A., Sundar, D.*, Tandon, P., Dash, D. and Biswal, D.K. (2019). The complete chloroplast genome sequence of Dendrobium nobile, an endangered medical orchid from north-east India and its comparison with related chloroplast genomes of Dendrobium species. PeerJ 7: e7756. (also on bioRxiv: 316778)
Year 2018
Bhargava, P., Kumari, A., Putri, J.F., Ishida, Y., Terao, K., Kaul, S.C., Sundar, D.* and Wadhwa, R. (2018). Caffeic acid phenethyl ester (CAPE) possesses pro-hypoxia and anti-stress activities: Bioinformatics and experimental evidences. Cell Stress and Chaperones 23: 1055-1068.
Katiyar, S.P., Malik, V., Kumari, A. Singh, K. and Sundar, D.* (2018). Fragment-based ligand designing. Methods in Molecular Biology 1762: 123-144.
Dhanjal, J.K., Malik, V., Radhakrishnan, N., Sigar, M., Kumari, A. and Sundar, D.* (2018). Computational protein engineering approaches for effective design of new molecules. Encyclopedia of Bioinformatics and Computational Biology, Ranganathan, S., Gribskov, M., Nakai, K. and Schonbach, C. (Eds.), vol.3, pp. 631-643, Oxford: Elsevier (Book ISBN: 978-0-128-11414-8).
Peter, S.C., Dhanjal, J.K., Malik, V., Radhakrishnan, N., Jayakanthan, M. and Sundar, D.* (2018). Quantitative structure-activity relationship (QSAR): modeling approaches to biological applications. Encyclopedia of Bioinformatics and Computational Biology, Ranganathan, S., Gribskov, M., Nakai, K. and Schonbach, C. (Eds.), vol.3, pp. 661-676, Oxford: Elsevier (Book ISBN: 978-0-128-11414-8).
Year 2017
Dhanjal, J.K., Radhakrishnan, N. and Sundar, D.* (2017). Identifying synthetic lethal targets using CRISPR/Cas9. Methods 131: 66-73.
Malik, V., Dhanjal, J.K., Kumari, A., Navaneethan, R., Singh, K. and and Sundar, D.* (2017). Function and structure-based screening of compounds, peptides and proteins to identify drug candidates. Methods 131: 10-21.
Rani, L., Mathur, N., Gupta, R., Gogia, A., Kaur, G., Dhanjal, J.K., Sundar, D., Kumar, L. and Sharma, A. (2017). Genome wide DNA methylation profiling integrated with gene expression profiling identifies PAX9 as a novel prognostic marker in Chronic Lymphocytic Leukemia. Clinical Epigenetics 9: 57.
Rani, L., Gupta, R., Mathur, N., Singh, K., Gogia, A., Sundar, D., Kumar, L. and Sharma, A. (2017). Elucidation of miRNAs associated with disease progression and response in chronic lymphocytic leukemia. Leukemia and Lymphoma 58: 173-174.
Kumar, P., Srivastava, V., Chaturvedi, R., Sundar, D. and Bisaria, V.S. (2017). Elicitor enhanced production of protoberberine alkaloids from in vitro suspension cultures of Tinospora cordifolia (Willd.) Miers ex Hook. F. & Thoms. PCTOC: Journal of Plant Biotechnology 130(2): 417-426.
Biswal, D., Konhar, R., Debnath, M., Parameswaran, S., Sundar, D. and Tandon, P. (2017). Chloroplast genome sequence annotation of Dendrobium nobile (Orchidaceae, Asparagales), an endangered medicinal orchid from Northeast India. PloS Currents: Tree of Life 2017 May 19. Edition 1. doi: 10.1371/currents.tol.cf1709613759c2223eb582c0fa694cc7.
Yu, Y., Katiyar, S.P., Sundar, D., Kaul, Z., Miyako, E., Zhang, Z., Kaul, S., Reddel, R.R. and Wadhwa, R. (2017). Withaferin-A kills cancer cells with and without telomerase: Chemical, computational and experimental evidences. Cell Death and Disease 8(4): e2755.
Press coverage of the publication - Press release 1, Press release 2, DBT News, AIST News, IITD News
Katiyar, S.P., Malik, V., Kumari, A. and Sundar, D.* (2017). Computational methods to understand the anti-cancer mechanism of withanolides. In: Science of Ashwagandha: Preventive and Therapeutic Potentials, Kaul, S. and Wadhwa, R. (Eds.), pp. 263-280, Springer International Publishing AG (eBook ISBN: 978-3-319-59192-6) (Hardcover ISBN: 978-3-319-59191-9)
Year 2016
Biswal, D., Konhar, R., Debnath, M., Parameswaran, S., Sundar, D. and Tandon, P. (2016). Complete Chloroplast Genome Sequence of Dendrobium nobile from North‑East India. ASM Genome Announcements 4(5):e01088-16.
Biswal, D., Konhar, R., Debnath, M., Parameswaran, S., Sundar, D. and Tandon, P. (2016). Dendrobium nobile chloroplast, complete genome. Direct submission to NCBI [GenBank (Accession number - KX377961.1]
Dutta, S., Madan, S., Parikh, H. and Sundar, D.* (2016). An ensemble micro neural network approach for elucidating interactions between zinc finger proteins and their target DNA. BMC Genomics 17(13): 1033.
Dutta, S., Madan, S. and Sundar, D.* (2016). Exploiting the recognition code for elucidating the mechanism of zinc finger protein-DNA interactions. BMC Genomics 17(13): 1037.
Wadhwa, R., Nigam, N., Bharghava, P., Dhanjal, J.K., Goyal, S., Grover, A., Sundar, D., Ishida, Y., Terao, K. and Kaul, S. (2016). Molecular characterization and enhancement of anticancer activity of caffeic acid phenethyl ester by cyclodextrin. Journal of Cancer 7(13):1755-1771.
Kumar, P., Chaturvedi, R., Sundar, D.* and Bisaria, V.S. (2016). Piriformospora indica enhances the production of pentacyclic triterpenoids in Lantana camara L. suspension cultures. PCTOC: Journal of Plant Biotechnology 125(1):23-29.
Year 2015
Dutta, S. and Sundar, D.* (2015) Designing zinc finger proteins for applications in synthetic biology. In: Systems and Synthetic Biology Book (S2B2), Dhar, P. and Singh. V. (Ed.), pp. 281-298, Springer-Verlag, Dordrecht, Netherlands. (ISBN: 978-94-017-9513-5)
Dutta, S., Agrawal, Y., Mishra, A., Dhanjal, J.K. and Sundar, D.* (2015). A theoretical investigation of DNA dynamics and desolvation kinetics for zinc finger protein Zif268. BMC Genomics 16(12): S5
Dhanjal, J.K., Dutta, S. and Sundar, D.* (2015). Protein-DNA parasparik kriyaon ke aadhar par lakshit genome engineering upkarno ka vikaas. Jigyasa 29: 74-77
Nigam, N., Grover, A., Goyal, S., Katiyar, S.P., Wang, P.C., Sundar, D., Kaul, S. and Wadhwa, R. (2015). Targeting mortalin by Embelin causes activation of tumor suppressor p53 and deactivation of metastatic signaling in human breast cancer cells. PLoS One 10(9):e0138192
Nagpal, N., Ahmad, H.M., Chameettachal, S., Sundar, D., Ghosh, S. and Kulshreshtha, R. (2015). HIF-inducible miR-191 promotes migration in breast cancer through complex regulation of TGFbeta-signaling in hypoxic microenvironment. Scientific Reports 5: 9650.
Dhanjal, J.K., Sreenidhi, A.K., Bafna, K., Katiyar, S.P., Goyal, S., Grover, A. and Sundar, D.* (2015). Computational structure-based de novo design of hypothetical inhibitors against the anti-Inflammatory target COX-2. PLoS One 10(8): e0134691.
Katiyar, S.P., Jain, A., Dhanjal, J.K. and Sundar, D.* (2015). Mixed inhibition of cPEPCK by genistein using an extended binding site located adjacent to its catalytic cleft. PLoS One 10(11): e0141987
Singh, S., Sarma, S., Katiyar, S.P., Das, M., Bhardwaj, R., Sundar, D. and Dubey, V.K. (2015). Probing molecular mechanism of hypericin-induced parasitic death: an insight into role of spermidine beyond redox metabolism of Leishmania. Antimicrobial Agents and Chemotherapy 59(1): 15-24.
Gupta, R., Rani, L., Mathur, N., Gogia, A., Sundar, D., Sharma, A. and Kumar, L. (2015). Impact of DNA methylation and gene expression profile on treatment initiation & treatment free survival in early stage CLL. J. Clin. Oncol. 33: e22073
Year 2014
Gao, R., Shah, N., Lee, J.S., Katiyar, S.P., Sundar, D., Oh, E., Yun, C.O., Kaul, S.C. and Wadhwa, R. (2014). Withanone-rich combination of Ashwagandha withanolides restricts metastasis and angiogenesis through hnRNP-K. Molecular Cancer Therapeutics 13(12): 2930-2940.
Shukla, S., Bafna, K.., Sundar, D.* and Thorat, S.S. (2014). The bitter barricading of prostaglandin biosynthesis pathway: understanding the molecular mechanism of selective cyclooxygenases-2 inhibition by amarogentin, a secoiridoid glycoside from Swertia chirayita. PLoS ONE 9(3): e90637
Grover, S., Dhanjal, J.K., Goyal, S., Grover, A. and Sundar, D.* (2014). Computational identification of novel natural inhibitors of glucagon receptor for checking diabetes melitus. BMC Bioinformatics 15(16): S13
Dutta, S., Dhanjal, J.K. and Sundar, D.* (2014). Understanding DNA-protein interactions for applications in genome engineering. Asia Pacific Biotech News 18(9): 31-34.
Kumar, A., Rani, L., Matur, N., Maqbool, M., Gupta, R., Iyer, V., Sundar, D., Pal, S., Shukla, N.K., Thulkar, S. and Sharma, A. (2014). To study the gene expression profile of advanced gall bladder cancer. Ann. Oncol. 25(suppl_4): iv245.
Year 2013
Grover, A., Samuel, G., Bisaria, V.S. and Sundar, D.* (2013). Enhanced withanolide production by overexpression of squalene synthase in Withania somnifera. J. Bioscience and Bioengineering 115(6):680-685.
Saxena, N., Katiyar, S.P., Liu, Y., Grover, A., Sundar, D., Kaul, S. and Wadhwa, R. (2013). Molecular interactions of Bcl-2 and Bcl-xL with mortalin: identification and functional characterization. Bioscience Reports 33(5): e00073.
Year 2012
Grover, A., Priyandoko, D., Gao, R., Shandilya, A., Widodo, N., Bisaria, V.S., Kaul, S., Wadhwa, R. and Sundar, D.* (2012). Withanone binds to mortalin and abrogates mortalin-p53 complex: computational and experimental evidence. International Journal of Biochemistry and Cell Biology 44(3): 496-504.
Grover, A., Singh, R., Shandilya, A., Priyandoko, D., Agrawal, V., Bisaria, V.S., Wadhwa, R., Kaul, S. and Sundar, D.* (2012). Ashwagandha-derived withanone targets TPX2-Aurora A complex: computational and experimental evidence to its anticancer activity. PLoS ONE 7(1): e30890.
Grover, A., Shandilya, A., Agrawal, V., Bisaria, V.S. and Sundar, D.* (2012). Computational evidence to inhibition of human acetyl cholinesterase by withanolide A for Alzheimer treatment. J. Biomolecular Structure and Dynamics 29(4): 651-662.
Grover, A., Shandilya, A, Agrawal, V., , Bisaria, V.S. and Sundar, D.* (2012). Computational insights into the binding mechanisms of withafern A, a herbal anticancer drug. In: Bioinformatics: Genome Bioinformatics and Computational Biology, Tuteja, R. (Ed.), pp. 197-209, Nova Science Publishers Inc., Hauppahauge, NY, USA (ISBN: 978-1-62100-913-9)
Roy, S., Dutta, S., Khanna, K., Singla, S. and Sundar, D.* (2012). Prediction of DNA-binding specificity in zinc finger proteins. J. Biosciences 37(3):483-491.
Kumar, V., Punetha, A. and Sundar, D.* and Chaudhuri, T.K. (2012). In silico engineering of aggregation-prone recombinant proteins for substrate recognition by the chaperonin GroEL. BMC Genomics 13(7): S22.
Sarkar, A., Kumar, S., Grover, A. and Sundar, D.* (2012) Protein aggregation in neurodegenerative diseases: Insights from computational analyses. Current Bioinformatics 7(1): 87-95
Grover, A., Katiyar, S.P., Jeyakanthan, J., Dubey, V. and Sundar, D.* (2012). Blocking Protein Kinase C signaling pathway: mechanistic insights into the anti-leishmanial activity of prospective herbal drugs from Withania somnifera. BMC Genomics 13(7): S20.
Grover, A., Katiyar, S., Jeyakanthan, J., Dubey, V.K. and Sundar, D.* (2012). Mechanistic insights into the dual inhibition strategy for checking Leishmaniasis. J. Biomolecular Structure and Dynamics 30(4): 474-487.
Grover, A., Katiyar, S., Singh, S.K., Dubey, V.K. and Sundar, D.* (2012) A Leishmaniasis study: structure-based screening and molecular dynamics mechanistic analysis for discovering potent inhibitors of spermidine synthase. Biochimica et Biophysica Acta - BBA: Proteins and Proteomics 1824(12): 1476-1483.
Grover, A., Shakyawar, S.K., Saudagar, P., Dubey, V.K. and Sundar, D.* (2012). Epitopic analysis of potential vaccine candidate in Leishmania infantum for development of human vaccine. Letters in Drug Design & Discovery 9(7): 698-705.
Grover, A., Yadav, J.S.S., Biswas, R., Pavan, C.S.S., Mishra, P., Bisaria, V.S. and Sundar, D.* (2012). Production of monoterpenoids and aroma compounds from cell suspension cultures of Camellia sinensis. Plant Cell, Tissue and Organ Culture 108(2): 323-331.
Year 2011
Our work has been highlighted in Nature India (doi:10.1038/nindia.2011.9). [PDF]
Grover, A., Agrawal, V., Shandilya, A., Bisaria, V.S. and Sundar, D.* (2011). Non-nucleosidic inhibition of Herpes simplex virus DNA polymerase: Mechanistic insights into the anti-herpetic mode of action of herbal drug withaferin-A. BMC Bioinformatics 12(11): S22.
Grover, A., Shandilya, A., Agrawal, V., Pratik, P., Bhasme, D., Bisaria, V.S. and Sundar, D.* (2011) Blocking the chaperone kinome pathway: mechanistic insights into a novel dual inhibition approach for supra-additive suppression of malignant tumours. Biochem. Biophys. Res. Commun. 404(1): 498-503.
Grover, A., Shandilya, A., Agrawal, V., Pratik, P., Bhasme, D., Bisaria, V.S. and Sundar, D.* (2011) Hsp90/Cdc37 chaperone/co-chaperone complex, a novel junction anticancer target elucidated by the mode of action of herbal drug withaferin-A. BMC Bioinformatics 12(1): S30.
Sarkar, A., Kumar, S. and Sundar, D.* (2011) The G-Protein coupled receptors in the putterfish Fugu rubripes. BMC Bioinformatics 12(1): S3.
Punetha, A., Shanmugam, K. and Sundar, D.* (2011) Insight into the enzyme-inhibitor interactions of the first experimentally determined human aromatase. J. Biomolecular Structure and Dynamics 28(5): 759-771.
Year 2010
Grover, A., Pandey, A., Choudhary, K., Gupta, K. and Sundar, D.* (2010) Re-programming DNA-binding specificity in zinc finger proteins for targeting unique address in a genome. Systems and Synthetic Biology 4(4): 323-329.
Grover, A., Shandilya, A., Punetha, A., Bisaria, V.S. and Sundar, D.* (2010) Probing the anticancer mechanism of prospective herbal drug withaferin-A on mammals: a case study on human and bovine proteasomes. BMC Genomics 11(4):S15.
Grover, A., Shandilya, A., Bisaria, V.S. and Sundar, D.* (2010) Inhibition of the NEMO/IKKß association complex formation, a novel mechanism associated with the NF-kB activation suppression by Withania somnifera’s key metabolite withaferin-A. BMC Genomics 11(4):S25.
Molparia, B., Goyal, K., Sarkar, A., Kumar, S. and Sundar, D.* (2010). Zif-Predict: a web tool for predicting DNA-binding specificity in C2H2 zinc finger proteins. Genomics, Proteomics & Bioinformatics 8(2): 122-126. [Zif-PREDICT Server]
Sarkar, A., Kumar, S., Grover, A., Punetha, A. and Sundar, D.* (2010) Analysis and prediction of DNA-recognition by zinc finger proteins: applications in genome modification. In: Biomedical Engineering and Information Systems: Technologies, Tools and applications, Shukla, A. and Tiwari, R. (Eds.) , pp. 303-317, IGI Global, Hershey, PA, USA. (ISBN: 978-1-61691-004-3)
Year 2009
Jayakanthan, M., Muthukumaran, J., Chandrasekar, S., Chawla, K., Punetha, A. and Sundar, D.* (2009). ZifBASE: a database of zinc finger proteins and associated resources. BMC Genomics 10: 421. [Zif-BASE Server]
Kumar, S., Sarkar, A. and Sundar, D.* (2009). Controlling aggregation propensity in A53T mutant of alpha-synuclein causing Parkinson's disease. Biochem. Biophys. Res. Commun. 387(2): 305-309.
Jayakanthan, M., Wadhwa, G., Madhan Mohan, T., Arul, L., Balasubramanian, P. and Sundar, D.* (2009). Computer Aided Drug Design for cancer-causing H-Ras P21 Mutant Protein. Letters in Drug Design & Discovery 6(1): 14-20.
Balachandran, N., Kichenamourthy, S., Muthukumaran, J., Jayakanthan, M., Chandrasekar, S., Punetha, A. and Sundar, D.* (2009). Diversity of true mangroves and their associates in the Pondicherry region of South India and development of a mangrove knowledgebase. J. Ecol Nat. Environ. 1(5): 99-105. [Mangroves Database]
Kumar, S., Sarkar, A. and Sundar, D.* (2009). Aggregation studies on mutants of alpha-synuclein leading to Parkinson's disease. Biobytes 4: 58-59.
Year 2008
Gowthaman, U., Jayakanthan, M. and Sundar, D.* (2008) Molecular docking studies of dithionitrobenzoic acid and its related compounds to protein disulphide isomerase: computational screening of inhibitors to prevent HIV-1 entry. BMC Bioinformatics 9 (12):S14.
Selected publications < Year 2008
Sundar Durai, Bosley, A., Bridgeman, A., Chandrasegaran, S. and Ostermeier, M. (2006) A bacterial one-hybrid selection system for interrogating zinc finger-DNA interactions. Combinatorial Chemistry & High Throughput Screening 9(4): 301-311.
Sundar Durai, Kandavelou, K., Mani, M., Joy, W., Porteus, M.H. and Chandrasegaran, S (2005) Zinc finger nucleases: custom-designed molecular scissors for genome engineering of plant and mammalian cells. Nucleic Acids Research 33(18): 5978-5990.
Kandavelou, K., Mani, M., Sundar Durai and Chandrasegaran, S (2005) "Magic" scissors for genome surgery. Nature Biotech. 23(6): 686-687.
Mani, M., Kandavelou, K., Dy, F.J., Sundar Durai and Chandrasegaran, S (2005) Design, engineering and characterization of zinc finger nucleases for gene targeting. Biochem. Biophys. Res. Commun. 335: 447-457.
Kandavelou, K., Mani, M., Sundar Durai and Chandrasegaran, S. (2004) Engineering and applications of chimeric nucleases. Nucleic Acids and Molecular Biology. Vol.14. In: Pingoud, A.M. (Ed.) Restriction Endonucleases, pp. 413-434, Springer-Verlag, Berlin, Germany
Sundar Durai, Bosley, A., Bridgeman, A., Chandrasegaran, S. and Ostermeier, M. (2004) A bacterial one-hybrid selection system for interrogating zinc finger-DNA interactions. FASEB Journal, 18(8): C174.
Reddy, A.R., Sundar, D. and Gnanam, A. (2003) Photosynthetic flexibility in Pedilanthus tithymaloides Poit, a CAM plant. J. Plant Physiol. 160(1): 75-80.
Sundar, D. and Reddy, A.R. (2001) Interactive influence of temperature and growth light intensity on rubber accumulation and rubber transferase activity in guayule (Parthenium argentatum Gray). J. Plant Physiol. 158(10): 1291-1297.
Sundar, D. and Reddy, A.R.(2000) Characterization of rubber latex particles and the associated proteins from Ficus elastica Roxb. J. Plant Biol. 27(2): 139-144.
Magazine coverage of our research - India's popular only Science & Environment fortnightly (Down To Earth) published by Indian Society for Environmental Communications, highlighted our work on rubber biosynthesis. Down to Earth (March 15, 2006 ) pp. 31.