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

Abstract

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.

• Authors: Temitope I David, Niyi S Adelakun, Olaposi I Omotuyi, Damilohun S Metibemu, Oluwafemi E Ekun, Gabriel O Eniafe, Olumide K Inyang, Bamidele Adewumi, Ojochenemi A Enejoh, Raymond T Owolabi, Eunice I Oribamise
• Journal: Bioinformation (Bioinformation) Vol. 14 Issue 9 Pg. 574-579 ( 2018) ISSN: 0973-2063 [Print] Singapore
• PMID: 31223216 (Publication Type: Journal Article)