Research Projects

This project aims to optimize the structure of novel Trifluoromethyl-quinolone (TFQ) compounds for use as potential antitubercular agents. The design hypothesis is based on the observation that although TFQ derivatives have shown activity in whole-cell assays, they are only moderately active in in-vitro DprE1 assays. It is hypothesized that the presence of esterase inside the cell may convert the ester group into an acid group, leading to decreased activity in the in-vitro assay. Therefore, the project aims to design a corresponding carboxylic acid derivative that may interact better with the essential amino acids present in the enzyme's active site, thus improving the antitubercular activity of the TFQ compounds. The project will involve designing, synthesizing, and screening an extensive library of TFQ derivatives to identify the critical structural features required for antitubercular activity. Computational design and ADMET filtering will be used to identify the best compounds for synthesis, and molecular docking will be used to select the best compounds for further analysis. The synthesized compounds will be characterized, and their biological activities will be assessed in vitro and in vivo. If successful, this research could lead to a fundamental understanding of the critical structural features required for antitubercular activity of TFQ derivatives and the development of new and effective treatments for tuberculosis, with significant implications for global health.