Molecular docking and antiviral activity of N-substituted benzyl/phenyl-2-(3,4-dimethyl-5,5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4H)-yl)acetamides

• Published in: Bioorganic & medicinal chemistry letters 2015-03, Vol.25 (6), p.1348-1351
• Main Authors: Ahmad, Matloob, Aslam, Sana, Rizvi, Syed Umar Farooq, Muddassar, Muhammad, Ashfaq, Usman Ali, Montero, Catherine, Ollinger, Olivia, Detorio, Mervi, Gardiner, John M., Schinazi, Raymond F.
• Format: Article
• Language: English
• Subjects: 1,2-Benzothiazine 1,1-dioxide; Acetamides - chemistry; Animals; Anti-HIV activity; Antiviral Agents - chemical synthesis; Antiviral Agents - chemistry; Antiviral Agents - toxicity; Binding Sites; Catalytic Domain; Cell Proliferation - drug effects; Chlorocebus aethiops; Cytotoxicity; HIV Reverse Transcriptase - antagonists & inhibitors; HIV Reverse Transcriptase - metabolism; HIV-1 - enzymology; Humans; Leukocytes, Mononuclear - cytology; Leukocytes, Mononuclear - drug effects; Leukocytes, Mononuclear - metabolism; Molecular Docking Simulation; Nevirapine - chemistry; Nevirapine - metabolism; Pyrazolobenzothiazine; Reverse transcriptase; Reverse Transcriptase Inhibitors - chemical synthesis; Reverse Transcriptase Inhibitors - chemistry; Reverse Transcriptase Inhibitors - toxicity; Vero Cells
• ISSN: 0960-894X; 1464-3405
• DOI: 10.1016/j.bmcl.2015.01.007

[Display omitted] Two series of fifteen N-substituted benzyl/phenyl-2-(3,4-dimethyl-5,5-dioxidopyrazolo[4,3-c][1,2]benzothiazin-2(4H)-yl)acetamides were screened for anti-HIV-1 activity and cytotoxicity. The compounds 6a, 6d, 6e, 6g and 6i from the series 6a–i of benzylamides and 7a, 7b, 7c, 7d and 7e from the series 7a–f of anilides were identified as effective anti-HIV-1 agents with EC50 values