Molecular Docking Study of Phthalimide Derivatives as Non-nucleoside HIV-1 Reverse Transcriptase Inhibitor

Abstract

The molecular docking approach was used to determine the binding affinities and the interactions of Mycobacterium tuberculosis dihydrofolate reductase (mtbDHFR) in complex with 2, 4-diaminopyrimidines analogues (PYR analogous). This approach can classify compounds into low and high affinity agents which can be further developed as a possible dihydrofolate reductase inhibitor for tuberculosis treatment. Our study provides insight into the important interactions of mtbDHFR with PYR analogues which lead to the design of effective agents against mtbDHFR.