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MOLECULAR DOCKING STUDIES OF THIAZOLE SCHIFF’S BASES AS HIV1-PROTEASE INHIBITORS

M. LAKSHMANA DOSS and K. G. LALITHA

Structure-based drug design by use of structural biology remains one of the most logical and aesthetically pleasing approaches in drug discover paradigms. Managing AIDS, is the most challenging problems in the 21st century. Promising new agents may be developed by following targets. The concept of structure-based drug discovery combines information from several fields, X-ray crystallography and/or NMR, molecular modeling, synthetic organic chemistry, qualitative structure-activity relationships (QSAR), and biological evaluation. Thiazole Schiff bases are exhibit a wide range of biological activity such as antimicrobial, antituberculosis, anticancer & antiviral activities. HIV 1 Protease inhibitor effects were predicted by docking with use of cerius 2 software. From the Docking studies for HIV1 protease shows, out of 5 ligands compound 2 & 5 very well packed in to the active site of the protein like the standard Teliunavir. On the basis of Structure-based drug design, new lead structures were discovered for Rational drug designing for HIV–1 protease inhibitor and it will help full for further modification (molecular modeling) to obtained clinically useful novel entities for anti HIV drugs.