QSAR Study of N - Amino Imidazole as HIV Inhibitors
About Author: Dhaval G. Shah*, Dr Manish J. Patel, Dr Laxman J. Patel
Department Of Pharmaceutical Chemistry,
Shree S. K. Patel College Of Pharmaceutical Education & Research,
Ganpat University, Kherva. Dist: Mahesana, Gujarat
Abatract
Human Immunodeficiency Virus is the causative agent of Acquired Immuno Deficiency Syndrome (AIDS), a disease which has claimed twenty millions lives worldwide in the last two decades. Recently Imidazole derivatives, such as N-aminoimidazoles (NAIMS) have been discovered as novel anti- HIV agents. Herein, the results of 2D-QSAR analysis on these inhibitors have been reported. Quantitative Structure Activity Relationship studies have been conducted on a series (25 compounds) of NAIMS with selective HIV inhibition activity using ChemOffice v.8.0 software. The best prediction have been obtained for anti-HIV activity (R2=0.82, Q2=0.73). The equation emphasized the importance of MORAN AUTOCORELATION (BY ATOMIC MASS), GAERY AUTOCORELATION (BY ATOMIC , SHAPE PROFILE(RANDIC MOLECULAR PROFILE), MAXIMAL ELECTROTOPOLOGICAL EGATIVE VARIATION and Km parameters on biological activity. The equation is validated by test set (8 compounds). The information obtained from this 2D- QSAR may be utilized in the design of more potent NAIMS analogs and anti-HIV agents.

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