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The Potentials on Terpenoid Compounds from Red Betel (Piper crocatum Ruiz & Pav) as Microsomal Prostaglandin E Synthase-1 (mPGES-1) inhibitor in Rheumatoid Arthritis through Virtual Screening
Solichatul Afifah, Betty Lukiati, Siti Imroatul Maslikah

Department of Biology, Faculty of Mathematics and Natural Sciences, University of Malang


Abstract

Rheumatoid Arthritis (RA) is an inflammatory disease of the synovium. The key enzyme which role in RA is mPGES-1, which catalyzes conversion PGH2 into PGE2. PGE2 is the primary prostaglandin in inflammation when PGE2 binds to receptors PGE2, and it can activate the transcription factor. Data from WHO in 2010 depict that the prevalence of RA sufferers is relatively high. The synthetic drugs for RA commonly used are piroxicam and meloxicam, but has effect due to hepatoxics, so that a safe alternative which using an herbal madicine such as red betel. Red betel leaves contains terpenoid compounds such as β-amyrin, Spathulenol, Caryophyllene, and Humulene. Several previous studies reveal that terpenoid can inhibit prostaglandin biosynthesis such as terpenoid in Boswellia species and Salvia officinalis, which can inhibit mPGES-1. The purpose of this study is to predict potential of β-amyrin, Spathulenol, Caryophyllene, and Humulene terpenoid compounds in Red Betel as mPGES-1 inhibitor through Molecular docking, PA test, and ADMET test using software and web servers. The results showed four terpenoid compounds and mPGES-1 were on same binding site as drugs, and bound with enzyme through alkyl bond, while β-amyrin bound not only with alkyl bond but also hydrogen bond. The binding affinity of four terpenoid compounds were not significantly different from drugs. The potentials of antiinflammatory, antiarthritic, NSAID, transcription factor inhibitor and pharmacokinetic better than drugs. Based on the generated results, it can be concluded that β-amyrin, Spathulenol, Caryophyllene, and Humulene in Red Betel are potential for an antiinflammatory RA drug candidate.

Keywords: Rheumatoid Arthritis, mPGES-1, Virtual Screening

Topic: Bioinformatics

Link: https://ifory.id/abstract/ZmrWJwqt4MFG

Conference: International Conference on Life Sciences and Technology (ICoLiST 2019)

Plain Format | Corresponding Author (Solichatul Afifah)

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