1. In vitro antimalarial activity and molecular docking analysis of 4-aminoquinoline-clubbed 1,3,5-triazine derivatives.
- Author
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Bhat, H.R., Ghosh, S.K., Prakash, A., Gogoi, K., and Singh, U.P.
- Subjects
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ANTIMALARIALS , *MOLECULAR biology , *QUINOLINE , *TRIAZINES , *CHEMICAL derivatives , *PLASMODIUM falciparum , *ANTI-infective agents , *PROTOZOA - Abstract
Aims: Present report describes the in vitro antimalarial activity and docking analysis of seven 4-aminoquinoline-clubbed 1,3,5-triazine derivatives on pf-DHFR-TS. Methods and Results: The antimalarial activity was evaluated in vitro against chloroquine-sensitive 3D7 strain of Plasmodium falciparum. Compounds were docked onto the active site of pf-DHFR-TS using docking server to explicate necessary structural requirements for antimalarial activity. Conclusion: Title molecules demonstrated considerable bioactivity against the malaria parasite. Docking analysis revealed deep engulfment of the molecules into the inner groove of pf-DHFR-TS active site by making stable ligand-receptor posses. Hydrophobic interaction was identified as the only major interacting force playing a role between ligand-receptor interaction and minor with hydrogen bonds. Significance and Impact of the study: The study provided the novel insight into the necessary structural requirement for rationale-based antimalarial drug discovery. [ABSTRACT FROM AUTHOR]
- Published
- 2012
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