Molecular Docking Study of Mycobacterium tuberculosis Dihydrofolate Reductase in Complex with 2,4-diaminopyrimidines Analogues
Pimonluck Sittikornpaiboon [a], Pisanu Toochinda [a], Chawanee Thongpanchang [b], Ubolsree Leartsakulpanich [b] and Luckhana Lawtrakul* [a]* Author for corresponding; e-mail address: luckhana@siit.tu.ac.th
Volume: Vol.43 No.5 (OCTOBER 2016)
Research Article
DOI:
Received: 8 July 2015, Revised: -, Accepted: 23 September 2015, Published: -
Citation: Sittikornpaiboon P., Toochinda P., Thongpanchang C., Leartsakulpanich U. and Lawtrakul L., Molecular Docking Study of Mycobacterium tuberculosis Dihydrofolate Reductase in Complex with 2,4-diaminopyrimidines Analogues, Chiang Mai Journal of Science, 2016; 43(5): 931-945.
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.