Increasing rates of artemisinin-resistant plasmodium strains associated with malarial cases are alarming, hampering effective control of malaria. Artocarpin is a major flavonoid constituent of Artocarpus lakoocha, earlier demonstrated in-vitro potency against Malarial strains. However, efforts to elucidate the exact mechanism of interactions are still ongoing. Aiming to elucidate the probable mechanism of its anti-malarial action as Falcipain-2 (FP-2) inhibition, we investigated molecular modeling analysis. Our Molecular docking analysis for a set of 50 lakoocha bioactive compounds was realized that Artocarpin has the highest binding affinity (docking score: -6.4 Kcal/mol) against FP-2 from Plasmodium falciparum. We further accessed in-silico pharmacokinetics and toxicities for several Artocarpus lakoocha flavonoids. Our results provide critical insights into the mechanism of action of Artocarpin and other Artocarpus lakoocha flavonoids as a potential therapeutic agent (FP-2) against Malaria.
Previous Article in event
Photoinactivation of bacterial and fungal planktonic/biofilm forms using the combination of a porphyrinic formulation with potassium iodidePrevious Article in session
Next Article in event
The enigmatic Rid7C protein is an endoribonuclease involved in the differentiation and production of the glycopeptide antibiotic A40926 in Nonomuraea gerenzanensisNext Article in session
A systematic In-Silico investigation of Phytochemicals from Artocarpus species against Plasmodium falcipin
Published: 15 June 2022 by MDPI in The 2nd International Electronic Conference on Antibiotics session Repurposing & Antimicrobial Adjuvants
Keywords: Malaria; Plasmodium falciparum; Artocarpin; Falcipain-2; Artocarpus ; Flavonoids