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.