Design of a New Synthetically Accessible Antibacterial Sulfona-mide Through Quantitative Structure-Activity Relationship (QSAR) Studies

Title:Design of a New Synthetically Accessible Antibacterial Sulfona-mide Through Quantitative Structure-Activity Relationship (QSAR) Studies

Volume: 6 Issue: 2

Author(s): Daniel F. Kawano, Carlton A. Taft and Carlos H. T. P. da Silva

Affiliation:

Keywords: Chemoinformatics, descriptors, drug design, QSAR, sulfonamides, synthetical antibacterial.

Abstract: Quantitative structure-activity relationship (QSAR) studies are tools used in the design of new drugs, as illustrated by the development of the antibacterial agent norfloxacin and the acetylcholinesterase inhibitor donepezil. Here we demonstrate that the use of 2-D and 3-D descriptors, in association with classical physicochemical descriptors, was suitable to predict the antibacterial activities of sulfonamides and can be used to design new, chemically accessible, and, putatively, more active compounds. The use of freely availa-ble software and web servers makes this protocol a useful and easily implementable pedagogical resource, providing to pharmacy and chemistry students a practical experience with important issues regarding the use of QSAR in drug design.

Cite this article as:

F. Kawano Daniel, A. Taft Carlton and H. T. P. da Silva Carlos, Design of a New Synthetically Accessible Antibacterial Sulfona-mide Through Quantitative Structure-Activity Relationship (QSAR) Studies, Current Physical Chemistry 2016; 6 (2) . https://dx.doi.org/10.2174/1877946806666160425161417