Article Per Year (5 Year)
p-Index From 2020 - 2025
1.431
P-Index
This Author published in this journals
All Journal VALENSI Indonesian Journal of Biotechnology PROSIDING SEMINAR KIMIA Science and Technology Indonesia Communications in Science and Technology Chemistry Indonesian Journal of Chemical Research Jurnal Kartika Kimia Indonesian Chimica Letters
Ade Danova
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Mulawarman University Jl. Barong Tongkok, Kampus Gn.Kelua, Samarinda 75123, East Kalimantan
Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Education Engineering Environmental Science Immunology & microbiology Materials Science & Nanotechnology Physics

Published : 9 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search
Journal : Communications in Science and Technology

 1 
Discovery of thymol-fused chalcones as new competitive \(\alpha\)-glucosidase inhibitors: Design, synthesis, biological evaluation, and molecular modeling studies Danova, Ade; Hermawati, Elvira; Chavasiri, Warinthorn; Mujahidin, Didin; Alni, Anita; Roswanda, Robby
Communications in Science and Technology Vol 9 No 2 (2024)
Publisher : Komunitas Ilmuwan dan Profesional Muslim Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21924/cst.9.2.2024.1497

Abstract

This study aims to synthesize and evaluate the inhibitory activity of thymol derivatives targeting ?-glucosidase using in vitro and in silico studies. Ten thymol derivatives (2-11) including five new thymol-fused chalcones (7-11) were successfully synthesized. Among them, four compounds (4, 8, 9, 11) showed the best inhibitory activity with IC50 values of 18.45, 13.75, 8.86, and 10.67µM compared with acarbose (IC50 = 832.82 µM), respectively. The kinetic study of three new thymol-fused chalcones (8, 9, 11) exhibited a competitive inhibition. Molecular docking demonstrated the predicted interactions between ligand (8, 9, 11) and ?-glucosidase, which are responsible for inhibiting the enzyme's catalytic abilities. Furthermore, molecular dynamics simulation of the enzyme-ligand 9 complex indicated that this complex was stable in aqueous condition. This research contributes significantly to the understanding of thymol-fused chalcones that may have therapeutic potential and their possible application in the treatment of type 2 diabetes mellitus (T2DM) for further study.
Co-Authors Anita Alni, Anita Aqilah, Amadita Shafa Chavasiri, Warinthorn Daniel Tarigan Didin Mujahidin Erwin - Hermawati, Elvira Ika Oktavianawati Iqbal Musthapa Kartika, Irma Ratna Kurniadewi, Fera Maulana, Yusuf Eka Muhammad Reza Muktiningsih Nurjayadi Ramadhini, Rizky Annisa Roswanda, Robby Yulvia, Ana