A Free-Wilson and docking analysis on a series of oxazolidinones as HIV-1 protease inhibitors

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Bashirulla Shaik

National Institute of Technical Teachers Training and Research-Bhopal, India

: J Pharm Drug Deliv Res

Abstract

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A Free-Wilson analysis was performed on a series of oxazolidinones acting as HIV-1 protease inhibitors. It was found that only two acetyl groups on the phenyl ring attached to the nitrogen of oxazolidinone ring and an isopropyl group on the nitrogen of the side chain makes the positive contribution to the activity and that any substituent at the end phenyl ring will have a negative contribution. All other substituents were found to be irrelevant for the activity of the compounds. From the docking study, both the acetyl groups were found to act as hydrogen-bond (H-bond) donors and the isopropyl group was found to have steric interaction with enzymes. The two aromatic rings on the right-side of the oxazolidinone ring were also found to have steric or hydrophobic interactions with the enzyme. Thus, these findings were in accordance to pharmacophoric features of the oxazolidinone series to act as HIV-1 protease inhibitors. The Free-Wilson analysis led to the designing of a new compound with very high activity, better than even the FDA approved Tipranavir (Aptivus). basheerulla.81@gmail.com

Biography

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