Allium sativum as Antimalaria Agent via Falciapin Protease-2 Inhibitor Mechanism: Molecular Docking Perspective

نویسندگان

چکیده

Background: Malaria is an endemic disease that can lead to death. control a threatening cause of resistance antimalarial drugs so renewable therapies are needed overcome this disease. The chemical compounds garlic have potential as agents, but the mechanism still unknown. Aim: This research will predict compounds' molecular in (Allium sativum) using in-silico method. Methods: In-silico method Allium sativum were obtained from PubChem, and Falciapain protease-2 was Protein Data Bank. Then performed docking simulation between ligand-protein analyzed it 3D. We used PyRx, Pymol, DS (Discover Studio) software for analysis visualization interaction ligand-protein. Results: results we got, Alliin compound contained has strongest bond with Falcipain protease-2. Allin fulfilled Lipinski Rule, drug-likeness potentially. activity its inhibition against Conclusion:  recommend study reference further on Aliin antimalarials through vitro vivo methods.

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ژورنال

عنوان ژورنال: Clinical and Research Journal in Internal Medicine

سال: 2021

ISSN: ['2723-5130', '2723-5122']

DOI: https://doi.org/10.21776/ub.crjim.2021.002.01.4