1,2,3‐Thiadiazole Thioacetanilides. Part 2

Abstract

As part of our studies to discover new HIV-1 reverse transcriptase inhibitors, a series of 3,4-dichlorophenyl substituted 1,2,3-thiadiazole thioacetanilide (TTA=[(1,2,3-thiadiazole-5-yl)sulfanyl]acetanilide) derivatives were synthesized, and in vitro anti-HIV activity was evaluated. The results revealed that nearly half of the compounds show moderate-to-good inhibitory potency against HIV-1. In particular, compound 7f is highly potent, with an EC(50) value of 0.95+/-0.33 microM. The preliminary structure-activity relationship among the newly synthesized congeners is discussed.

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“…The molecular docking was performed using SYBYL-X 1.1 and the docking results were shown by PyMOL [13]. Our molecular docking analysis of the new analogues based on the modelling study which was performed to understand the binding mode of these analogues with the aspartate aminotransferase (ATT) of E. coli [14] binding pocket (PDB code: 1ahg, [15]).…”

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