Publications

  1. Tripathi, N.; Saudrais, F.; Rysak, M.; Pieri, L.; Pin, S.; Roma, G.; Renault, J.-P.; Boulard, Y., Exploring the interaction of human α-synuclein with polyethylene nanoplastics: Insights from computational modeling and experimental corroboration. Biomacromolecules 2024. (https://doi.org/10.1021/acs.biomac.4c00918).
  2. Tripathi, N.; Danger, R.; Chesneau, M.; Brouard, S.; Laurent, A. D., Structural insights into the catalytic mechanism of granzyme B upon substrate and inhibitor binding. J. Mol. Graph. 2022, 114, 108167. (https://doi.org/10.1016/j.jmgm.2022.108167).
  3. Tripathi, N.; Leherte, L.; Vercauteren, D. P.; Laurent, A. D., Structure-based identification of inhibitors disrupting the CD2–CD58 interactions. J. Comput. Aided Mol. Des. 2021, 35, 337-353. (https://doi.org/10.1007/s10822-020-00369-z).
  4. Nayak, D.; Tripathi, N.; Kathuria, D.; Siddharth, S.; Nayak, A.; Bharatam, P. V.; Kundu, C., Quinacrine and curcumin synergistically increased the breast cancer stem cells death by inhibiting ABCG2 and modulating DNA damage repair pathway. Int. J. Biochem. Cell Biol. 2020, 119, 105682. (https://doi.org/10.1016/j.biocel.2019.105682).
  5. Kumar, V.; Sri, N. S.; Tripathi, N.; Sharma, V. K.; Bharatam, P. V.; Garg, P.; Singh, S., Structural exploration of glutamine synthetase from Leishmania donovani: Insights from in silico and in vitro analysis. Int. J. Biol. Macromol. 2020, 146, 860-874. (https://doi.org/10.1016/j.ijbiomac.2019.09.209).
  6. Tripathi, N.; Vetrivel, I.; Téletchéa, S.; Jean, M.; Legembre, P.; Laurent, A. D., Investigation of phospholipase Cγ1 interaction with SLP76 using molecular modeling methods for identifying novel inhibitors. Int. J. Mol. Sci. 2019, 20, 4721. (https://doi.org/10.3390/ijms20194721).
  7. Tripathi, N.; Shaikh, N.; Bharatam, P. V.; Garg, P., HToPred: a tool for human topoisomerase II inhibitor prediction. Mol. Inform. 2019, 38, 1800046. (https://doi.org/10.1002/minf.201800046).
  8. Tripathi, N.; Guchhait, S. K.; Bharatam, P. V., Pharmacoinformatics analysis of merbarone binding site in human topoisomerase IIα. J. Mol. Graph. 2019, 86, 1-18. (https://doi.org/10.1016/j.jmgm.2018.09.013).
  9. Sethi, R.; Tripathi, N.; Pallapati, A. R.; Gaikar, A.; Bharatam, P. V.; Roy, I., Does N‐terminal huntingtin function as a ‘holdase’for inhibiting cellular protein aggregation? FEBS J. 2018, 285, 1791-1811. (https://doi.org/10.1111/febs.14457).
  10. Tripathi, N.; Deb, R.; Guchhait, S.; Bharatam, P., Chapter 2: Pharmacoinformatics studies on human topoisomerase II: Exploring the mechanism of enzyme inhibition. In Topoisomerase Inhibitors: Classification, Mechanisms of Action and Adverse Effects, Nova Science Publishers, Inc. New York: 2017; pp 49-142. (https://novapublishers.com/shop/topoisomerase-inhibitors-classification-mechanisms-of-action-and-adverse-effects/)
  11. Gaur, A. S.; Bhardwaj, A.; Sharma, A.; John, L.; Vivek, M. R.; Tripathi, N.; Bharatam, P. V.; Kumar, R.; Janardhan, S.; Mori, A., Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis (MPDS^ TB)(MPDS TB). J. Chem. Sci. 2017, 129, 515-531. (https://doi.org/10.1007/s12039-017-1268-4).
  12. Das, S.; Tripathi, N.; Siddharth, S.; Nayak, A.; Nayak, D.; Sethy, C.; Bharatam, P. V.; Kundu, C. N., Etoposide and doxorubicin enhance the sensitivity of triple negative breast cancers through modulation of TRAIL-DR5 axis. Apoptosis 2017, 22, 1205-1224. (https://doi.org/10.1007/s10495-017-1400-4).
  13. Angmo, S.; Tripathi, N.; Abbat, S.; Sharma, S.; Singh, S. S.; Halder, A.; Yadav, K.; Shukla, G.; Sandhir, R.; Rishi, V., Identification of guanosine 5′-diphosphate as potential iron mobilizer: Preventing the hepcidin-ferroportin interaction and modulating the interleukin-6/stat-3 pathway. Sci. Rep. 2017, 7, 40097. (https://doi.org/10.1038/srep40097).
  14. Sethi, R.; Tripathi, N.; Bharatam, P.; Roy, I. Amino-terminal wild type huntingtin as a protein folding aid-A function unexplored, FEBS J., 2016; pp 105-105.
  15. Nayak, A.; Satapathy, S. R.; Das, D.; Siddharth, S.; Tripathi, N.; Bharatam, P. V.; Kundu, C., Nanoquinacrine induced apoptosis in cervical cancer stem cells through the inhibition of hedgehog-GLI1 cascade: Role of GLI-1. Sci. Rep. 2016, 6, 20600. (https://doi.org/10.1038/srep20600).
  16. Kaur, P. K.; Tripathi, N.; Desale, J.; Neelagiri, S.; Yadav, S.; Bharatam, P. V.; Singh, S., Mutational and structural analysis of conserved residues in ribose-5-phosphate isomerase B from Leishmania donovani: Role in substrate recognition and conformational stability. PLoS One 2016, 11, e0150764. (https://doi.org/10.1371/journal.pone.0150764).
  17. Das, S.; Tripathi, N.; Preet, R.; Siddharth, S.; Nayak, A.; Bharatam, P. V.; Kundu, C. N., Quinacrine induces apoptosis in cancer cells by forming a functional bridge between TRAIL-DR5 complex and modulating the mitochondrial intrinsic cascade. Oncotarget 2016, 8, 248. (https://doi.org/10.18632/oncotarget.11335).
  18. Baviskar, A. T.; Amrutkar, S. M.; Trivedi, N.; Chaudhary, V.; Nayak, A.; Guchhait, S. K.; Banerjee, U. C.; Bharatam, P. V.; Kundu, C. N., Switch in site of inhibition: a strategy for structure-based discovery of human topoisomerase IIα catalytic inhibitors. ACS Med. Chem. Lett. 2015, 6, 481-485. (https://doi.org/10.1021/acsmedchemlett.5b00040).
  19. Sanghai, N.; Jain, V.; Preet, R.; Kandekar, S.; Das, S.; Trivedi, N.; Mohapatra, P.; Priyadarshani, G.; Kashyap, M.; Das, D., Combretastatin A-4 inspired novel 2-aryl-3-arylamino-imidazo-pyridines/pyrazines as tubulin polymerization inhibitors, antimitotic and anticancer agents. MedChemComm 2014, 5, 766-782. (https://doi.org/10.1039/C3MD00357D).
  20. Vijayan, R.; Trivedi, N.; Roy, S. N.; Bera, I.; Manoharan, P.; Payghan, P. V.; Bhattacharyya, D.; Ghoshal, N., Modeling the closed and open state conformations of the GABAA ion channel-plausible structural insights for channel gating. J. Chem. Inf. Model. 2012, 52, 2958-2969. (https://doi.org/10.1021/ci300189a).

 

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