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Tag Archives: QSAR

Quantum Molecular Modeling of Piperdine-4-Carboxamide Derivative CCR5 Antagonist (TAK-220) With Anti-HIV-1 Activity

Neelu Agrawal*1, Parvinder Khanuja2 1Department of Chemistry, M.L.C. Govt. G.P.G. College, Khandwa, M.P, India 2Department of Chemistry, S.N.P.G. College, Khandwa, M.P, India A B S T R A C T QSAR and SAR studies on the Piperidine-4-Crboxamide Derivatives as non- nucleotide reverse transcriptase inhibitor of HIV-1 using the topological, physicochemical, and hydrophobic parameters, indicator parameters along with the quantum parameters. ... Read More »

Design of 5,6-Dihydro-2-Pyrones Derivatives As HIV-1 Protease Inhibitors Using Molecular Descriptors

Author Details Kumar Nandan*1, Sunita Gupta2, Md. Belal Ahmad3, Kumar Ranjan4, Baidyanath Sah5 1University Department of Chemistry, T. M. Bhagalpur University India 812007 2University Department of Chemistry, A.P.S. University, Rewa (M.P), India 486003  3Department of Chemistry, T.N.B. College, T. M. Bhagalpur University India 812007 4C & M laboratory, Disel loco shed S.E. Railway Kharagpur (W.B) India 5Department of Mathematics, T.N.B. ... Read More »

Chemometric descriptor based QSAR rationales for the MMP-13 inhibition activity of non-zinc-chelating compounds

ABOUT AUTHOR Brij Kishore Sharma*, Prithvi Singh Department of Chemistry Government Post-Graduate College, Bundi-323 001, India Shri Kalyan Government Post-Graduate College, Sikar-332 001, India *E-mail:  [email protected]            ABSTRACT The MMP-13 inhibition activity of non-zinc-chelating compounds has been quantitatively analyzed in terms of chemometric descriptors. The statistically validated quantitative structure-activity relationship (QSAR) models provided rationales to explain the inhibition ... Read More »

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