AGARWAL SK, RAO KY, GUHA MK; Interscience Conference on Antimicrobial Agents and Chemotherapy (43rd: 2003: Chicago, Ill.).

Abstr Intersci Conf Antimicrob Agents Chemother Intersci Conf Antimicrob Agents Chemother. 2003 Sep 14-17; 43: abstract no. F-333.

Orchid Chemicals & Pharmaceuticals Ltd., Chennai, India.

BACKGROUND: Oxazolidinones are a new class of synthetic antibacterial agents active against a wide range of Gram positive pathogens like Methicillin Resistant Staphylococcus aureus (MRSA), Penicillin Resistant Streptococcus pneumoniae (PRSP) and Vancomycin Resistant Enterococci (VRE). Linezolid, the first clinically available oxazolidinone; though shows good antibacterial activity has several unmet therapeutic needs. Here, we present a statistically reliable Quantitative Structure Activity Relationship (QSAR) model generated for Tetrahydro isoquinoline substituted Oxazolidinones that could be used for further predictability. METHODS: Three Dimensional Quantitative Structure Activity Relationship (3D QSAR) studies for Tetrahydro isoquinoline substituted Oxazolidinones were performed using the Molecular Field Analysis (MFA) method. In this analysis the transformed Minimum Inhibitory Concentration (MIC) data, pMIC [pMIC= -log (1/MIC)] of Staphylococcus aureus ATCC 29213 was used. The study included 22 compounds and the QSAR model was developed using 17 molecules in the training set. RESULTS: A cross validated r[2] of 0.999 was obtained. CONCLUSION: The 3DQSAR model with a cross-validated r[2] of 0.999 indicates that the method is reliable for predicting the antibacterial activities of Oxazolidinones.

Publication Types:

• Meeting Abstracts

Keywords:

• Acetamides
• Anti-Bacterial Agents
• Biomedical Research
• Microbial Sensitivity Tests
• Oxazolidinones
• Quantitative Structure-Activity Relationship
• Staphylococcus aureus
• Tetrahydroisoquinolines
• linezolid

Other ID:

• GWAIDS0026724

UI: 102266348

From Meeting Abstracts