Date of Completion
Bachelor of Science in Biochemistry
M. tuberculosis, Multidrug-resistant M. Tuberculosis, Pyridomycin, InhA
In this study, the researchers created five (5) new pyridomycin derivatives. The structures of the five (5) pyridomycin analogs were drawn using Chemdraw, minimized using Chem3D, and the best ligand pose and binding affinity were obtained using Autodock Vina. The results showed that derivative 1, which bears the cyclopentyl ring as part of the non-polar group, gave thehighest binding affinity (10.9 kcal/mol) with InhA. Derivative 4 and pyridomycin both produced a binding affinity of -9.9 Kcal/mol. The lowest binding energy was found in derivative 3, which had -9.3 Kcal/mol.
Margel C. Bonifacio
Sakiusa, K., Martin, J. V. C., & Ntambara, E. N. (2020, August). In silico design of five pyridomycin derivatives as potential inhibitors of InhA and multidrug-resistant M. tuberculosis. GreenPrints. https://greenprints.dlshsi.edu.ph/bch/16/