Chandewar A. V.a, Devani A.b, Kamil R. F.a*

IN SILICO CONSTRUCTION AND MOLECULAR-DYNAMICS VALIDATION OF A TRIPLE-MUTANT (K103N/Y181C/Y188L) HIV-1 REVERSE TRANSCRIPTASE AND STRUCTURE-BASED SCREENING OF THYMOQUINONE-DERIVED NON-NUCLEOSIDE INHIBITORS

Resistance mutations in the non-nucleoside inhibitor binding pocket (NNIBP) of HIV-1 reverse transcriptase (RT) — most prominently K103N, Y181C and Y188L — continue to erode the durability of the entire non-nucleoside reverse transcriptase inhibitor (NNRTI) class. We report an in...

IN SILICO CONSTRUCTION AND MOLECULAR-DYNAMICS VALIDATION OF A TRIPLE-MUTANT (K103N/Y181C/Y188L) HIV-1 REVERSE TRANSCRIPTASE AND STRUCTURE-BASED SCREENING OF THYMOQUINONE-DERIVED NON-NUCLEOSIDE INHIBITORS

Resistance mutations in the non-nucleoside inhibitor binding pocket (NNIBP) of HIV-1 reverse transcriptase (RT) — most prominently K103N, Y181C and Y188L — continue to erode the durability of the entire non-nucleoside reverse transcriptase inhibitor (NNRTI) class. We report an in...