जर्नल ऑफ़ फिजिकल केमिस्ट्री एंड बायोफिज़िक्स

जर्नल ऑफ़ फिजिकल केमिस्ट्री एंड बायोफिज़िक्स
खुला एक्सेस

आईएसएसएन: 2161-0398

अमूर्त

Molecular Docking Studies of Lonchocarpus cyanescens Triterpenoids as Inhibitors for Malaria

Adejoro IA, Waheed SO and Adeboye OO

Malaria is an important parasitic disease in human. It is transmitted through the bite of an infected female Anopheles mosquito and occasionally through blood transfusion. In this study, the molecular docking studies of the triterpenoids using three (3) different malaria targets with PDB codes 3QS1, 1LS5 and 1SME was investigated using AutoDock vina. The docking studies showed that the ligands docked well with the targets and the binding affinity (-7.8, -8.0, -8.8 kcal/ mol for OH and -7.7, -7.6, -8.0 kcal/mol for OCH3) of the three (3) targets with the triterpenoids are in agreement with the values obtained for standard antimalaria drugs with re-docking binding affinity value of (-8.8, -9.5 and -9.0) kcal/mol for the three targets respectively. However, the result showed that the OH derivative of the triterpenoids gave better binding interaction than OCH3 derivative.

अस्वीकरण: इस सार का अनुवाद कृत्रिम बुद्धिमत्ता उपकरणों का उपयोग करके किया गया था और अभी तक इसकी समीक्षा या सत्यापन नहीं किया गया है।
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