Working Paper Article Version 1 This version is not peer-reviewed

Synthesis, Antimicrobial Study and Molecular Docking Simulation of 3,4-Dimethoxy-β-nitrostyrene Derivatives as Candidate of PTP1B Inhibitor

Version 1 : Received: 19 July 2020 / Approved: 20 July 2020 / Online: 20 July 2020 (11:31:48 CEST)

How to cite: Alfarisi, S.; Santoso, M.; Kristanti, A.N.; Puspaningsih, N.N.T. Synthesis, Antimicrobial Study and Molecular Docking Simulation of 3,4-Dimethoxy-β-nitrostyrene Derivatives as Candidate of PTP1B Inhibitor. Preprints 2020, 2020070468 Alfarisi, S.; Santoso, M.; Kristanti, A.N.; Puspaningsih, N.N.T. Synthesis, Antimicrobial Study and Molecular Docking Simulation of 3,4-Dimethoxy-β-nitrostyrene Derivatives as Candidate of PTP1B Inhibitor. Preprints 2020, 2020070468

Abstract

A derivative series of 3,4-dimethoxy-β-nitrostyrene were synthesized and identified including new compound 6. The effect of antimicrobial activity of 3,4-alkyloxy modification of β-nitrostyrene was investigated. A molecular docking was also performed to obtain information about their interactions with Protein Tyrosine Phosphatase 1B (PTP1B). PTP1B containing cysteine 215 and arginine 221 as essential active residues plays a key role in signaling pathways that regulate various cell functions of microorganisms, which also act as negative regulator in signaling pathways of insulin that are involved in type 2 diabetes and other metabolic diseases. Compound 5 and 6 were the most potent as fragment of PTP1B inhibitor based on molecular docking, but compound 5 was more effective against Candida albicans. These compounds interact with serine 216 and arginine 221 residues. However, further research is needed to investigate their potential medicinal use.

Subject Areas

3,4-dimethoxy-β-nitrostyrene derivatives; antimicrobial agent; PTP1B; molecular docking

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