Jurnal Natural Scientiae
Vol 2, No 1 (2022): Mei 2022

Kajian Molecular Docking Senyawa Quercetin dari Buah Terong Pokak (Solanum torwum Swartz) sebagai Antiinflamasi pada Protein Tumor Necrosis Factor-α (TNF-α)

Lusi Thenios (Universitas Lambung Mangkurat)
Noer Komari (Universitas Lambung Mangkurat)



Article Info

Publish Date
15 May 2022

Abstract

Quercetin is a polyphenolic flavonoid with potential chemopreventive activity. Quercetin is a chemical compound found in Solanum torvum Sw fruit. Quercetin is one of the compounds that are considered to have anti-inflammatory effects. Inflammation is a localized protective response elicited by tissue damage caused by physical trauma, damaging chemicals, or microbiology. Tumor Necrosis Factor-α (TNF-α) is a proinflammatory cytokine that functions in mediating the innate immune response. Irregular production of cytokines can lead to various immunopathological conditions, including auto-inflammatory, autoimmune, and cancer-causing diseases. This study aims to determine the potential of quercetin compounds derived from turkey berry (Solanum torvum Sw.) which have the potential as anti-inflammatory drugs with parameters such as ∆G, the interaction of residues on TNF-α protein (PDB ID: 6X85) with molecular docking, and pharmacophore studies using Lipinski, pkCSM, and SwissADME filters. The molecular docking simulation results showed that the quercetin compound had a ∆G value of -8.55 kcal/mol and had amino acid residue interactions in the form of ILE155; TYR59; GLY121; TYR119; GLN61; TYR151; VAL123; LEU157; ILE58; GLY122; SER60; LEU120; LEU157. Quercetin has the potential as an anti-inflammatory drug on TNF- α protein with an LD50 value of 2.471; bioavailability value of 0.55; does not have hepatotoxicity and skin sensitization properties and has passed the Lipinski test.

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Journal Info

Abbrev

jns

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Earth & Planetary Sciences Energy Immunology & microbiology Materials Science & Nanotechnology Physics

Description

Jurnal Natural Scientiae (JNS), ISSN:2809-9796 (online) adalah sebuah jurnal blind peer review yang didedikasikan untuk publikasi hasil penelitian yang berkualitas dalam bidang IPA namun tak terbatas secara implisit. Semua publikasi di jurnal Natural Scientiae bersifat akses terbuka yang ...