A. Anto Arockia Raj et al IJCPS, 2013: Vol.1(5): 365-369 Int. J. Chem. Pharm. Sci., 365 Available online at www.pharmaresearchlibrary.com/ijcps ISSN: 2321-3132 International Journal of Chemistry and Pharmaceutical Sciences IJCPS, 2013: Vol.1(5): 365-369 www.pharmaresearchlibrary.com/ijcps Insilico Drug Activities of Some Isatin Metal Complexes A. Anto Arockia Raj 1 *, J.Vinnarasi 1 , M.Johnson 2 1 Department of Chemistry, St.Xavier’s College, Palayamkottai-627002, Tamil Nadu, India. 2 Centre for Plant Biotechnology, Dept. of Botany, St.Xavier’s College, Palayamkottai-627002, Tamil Nadu, India. *E-mail:antset.anto@gmail.com Introduction Drug discovery has its beginning the root of mankind (1). Medicinal chemistry is an interdisciplinary science that by its very nature encompasses the sciences of chemistry, biochemistry, physiology, pharmacology and molecular modelling. It has been stated that medicinal chemistry concern with the discovery, development, identification and interpretation of the mode of action of biologically active compounds at molecular level (2). The synthetic compounds offered an opportunity to medicinal screening. The inventions of new lead molecules are used to design effective and safe drugs and also to reduce drug toxicities (3).Isatin (indol-2,3-dione) is a resourceful endogenous heterocyclic molecule identified in human being and rat tissues. Several of its derivatives were reported to exhibit a wide range of promising pharmacodynamic profile like anticonvulsant (4, 5), anti-HIV (6) cytotoxic (7), tuberculostatic (8), anti-microbial (9). At millimolar concentrations isatin has been found to inhibit different enzymes, an effect that may contribute to its anti infective actions (10).A significant rising interest in the design of metal compounds as drugs and our aim to dock a metal complexes with HIV and compare with standard drugs. Experimental Materials Schiff base derived from isatin and 2-aminobenzoic acid. The prepared schiff base complex with transition metals (Cu, Mn, Cd, Zn, Co, Ni).The various Schiff bases (A-E) given below were chosen for our work (11). A 1,1'-bis(2-oxo-2,3-dihydro-1H-indol-3-ylidene)-4H,4'H-2,2'-spirobi[benzo[d]1-oxa-3-aza-2-cupracyclohexane]-4,4'- dione Abstract Isatin schiff bases complexes were found to have anti-HIV activity. Hence our aim is to correlate the biological activity of isatin complexes against the HIV by Insilico method. The target molecule (virus) was taken from Protein data bank. Various softwares were used to find out the drug likeness properties of these schiff bases. We have selected Maraviroc, Darunavir, Nelfinavir, Zidovudine and Zalcitabine as standard drugs among the available drugs for correlating the drug activities against our Isatin transition metal complexes. We observed that some of our complexes were found to have higher drug activities compared to standard drugs. Keywords. Isatin complexes, Hex 6.3, Marvin sketch, ACD /I Lab. Research Article