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Molecular docking analysis of phyto-constituents from Cannabis sativa with pfDHFR


Temitope I. David1, Niyi S. Adelakun1, Olaposi I. Omotuyi1,2, Damilohun S. Metibemu1,2, Oluwafemi E. Ekun2, Gabriel O. eniafe1, Olumide K. Inyang1, Bamidele Adewumi1, Ojochenemi A. Enejoh1, Raymond T. Owolabi1, Eunice I. Oribamise1



1Centre for Biocomputing and Drug Development, AdekunleAjasin University, AkungbaAkoko, Ondo State, Nigeria; 2Department of Biochemistry, AdekunleAjasin University, Akungba Akoko, Ondo State, Nigeria



Temitope I David - E-mail:


Article Type




Received September 7, 208; Revised October 11, 2018; Accepted October 12, 2018; Published December 27, 2018



Available antimalarial drugs have been associated with numerous side effects which include skin rashes and myelo-suppression. Therefore, it is of interest to explore compounds from natural source having drug-like properties without side effect. This study focuses on the screening of compounds from Cannabis sativa against malaria Plasmodium falciparum dihydrofolate reductase for antimalarial properties using Glide (Schrodinger maestro 2018-1). The result showed that phytochemicals from Cannabis sativa binds with a higher affinity and lower free energy than the standard ligand with isovitexin and vitexin having a glide score of -11.485 and -10.601 respectively, sophoroside has a glide score of -9.711 which is lower than the cycloguanil (co-crystallized ligand) having a glide score of -6.908. This result gives new perception to the use of Cannabis sativa as antimicrobial agent.



Molecular docking, rule of five,pfDHR-TS, Cannabis sativa, glide



David et al. Bioinformation 14(9): 574-579 (2018)


Edited by

P Kangueane






Biomedical Informatics



This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.