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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
Published on: May 9, 2025
1-Aryl-tetrahydroisoquinoline analogs as active anti-HIV agents in vitro
Pi Cheng1, Ning Huang, Zhi-Yong Jiang
1State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, The Chinese Academy of Sciences, Kunming, Yunnan 650204, PR China.
Abstract:
A series of 1-aryl-6,7-dihydroxyl(methoxy)-1,2,3,4-tetrahydroisoquinolines (compounds 1-36) were synthesized via Pictet-Spengler cyclization. All the synthesized compounds were assayed for activities against HIV-1(IIIB) in C8166 cell cultures by MTT method for the first time. The results of the anti-HIV screening revealed that 6,7-dihydroxytetrahydroisoquinolines possessed higher selective index than 6,7-dimethoxyl analogs due to the significantly decreased cytotoxicities. Compounds 6, 24, and 36 showed potent anti-HIV activities with EC(50) values of 8.2, 4.6, and 5.3microM respectively, and the cytotoxicities (CC(50)) of these three compounds were 784.3, 727.3, and 687.3microM, which resulted in SI values larger than 95, 159, and 130 respectively.
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