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Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19.
Rafi MO, Bhattacharje G, Al-Khafaji K, Taskin-Tok T, Alfasane MA, Das AK, Parvez MAK, Rahman MS. Rafi MO, et al. Among authors: bhattacharje g. J Biomol Struct Dyn. 2022 May;40(8):3711-3730. doi: 10.1080/07391102.2020.1850355. Epub 2020 Nov 30. J Biomol Struct Dyn. 2022. PMID: 33251975 Free PMC article.
Mycobactin Analogues with Excellent Pharmacokinetic Profile Demonstrate Potent Antitubercular Specific Activity and Exceptional Efflux Pump Inhibition.
Shyam M, Verma H, Bhattacharje G, Mukherjee P, Singh S, Kamilya S, Jalani P, Das S, Dasgupta A, Mondal A, Das AK, Singh A, Brucoli F, Bagnéris C, Dickman R, Basavanakatti VN, Naresh Babu P, Sankaran V, Dev A, Sinha BN, Bhakta S, Jayaprakash V. Shyam M, et al. Among authors: bhattacharje g. J Med Chem. 2022 Jan 13;65(1):234-256. doi: 10.1021/acs.jmedchem.1c01349. Epub 2022 Jan 4. J Med Chem. 2022. PMID: 34981940
Targeting an evolutionarily conserved "E-L-L" motif in spike protein to identify a small molecule fusion inhibitor against SARS-CoV-2.
Jana ID, Bhattacharya P, Mayilsamy K, Banerjee S, Bhattacharje G, Das S, Aditya S, Ghosh A, McGill AR, Srikrishnan S, Das AK, Basak A, Mohapatra SS, Chandran B, Bhimsaria D, Mohapatra S, Roy A, Mondal A. Jana ID, et al. Among authors: bhattacharje g. PNAS Nexus. 2022 Oct 22;1(5):pgac198. doi: 10.1093/pnasnexus/pgac198. eCollection 2022 Nov. PNAS Nexus. 2022. PMID: 36712339 Free PMC article.
13 results