Eksakta : Berkala Ilmiah Bidang MIPA
Vol. 23 No. 04 (2023): Eksakta : Berkala Ilmiah Bidang MIPA (E-ISSN : 2549-7464) In Progress

Structure-Based Virtual Screening and Molecular Docking on the Indonesian Herbal Compound as a Promising Insulin Receptor (INSR) Inhibitor to Suppress Tumor Growth

Veronica Hesti Candraningrum (Master’s Program in Biomedical Science, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia.)
Linda Erlina (Master’s Program in Biomedical Science, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia.)
Rafika Indah Paramita (Department of Medical Chemistry, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia.)
Fadillah Fadillah (Department of Medical Chemistry, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia.)
Surya Dwira (Department of Medical Chemistry, Faculty of Medicine, Universitas Indonesia, Jakarta, Indonesia.)
Jaka Fajar Fatriansyah (Metallurgical and Materials Engineering, Faculty of Engineering, Universitas Indonesia, Jakarta, Indonesia.)

Article Info

Publish Date
16 Oct 2023

Abstract

A healthy cell maintains a homeostasis condition of glucose level, whereas cancer cells do not. Increased glucose uptake is a hallmark of cancer cells that helps them survive, proliferate, and spread. INSR is one of key feature that take part in glucose metabolism through insulin signaling. To block the entry of glucose into cells, researchers were aiming to disrupt the insulin signaling pathway as the upstream activation in glucose metabolism by inhibiting insulin receptor (INSR) using Indonesian herbal compounds. The approach during the screening was structure-based drug discovery (SBDD) method where INSR was determined as the macromolecules. Some parameters such as binding affinity, constant inhibition, drug-likeness, pharmacokinetics, and toxicity were applied to help the search of potential inhibitor. According to the test results, Heterophylin, Sanggenofuran A, and Epigallocatechin-3-O-caffeate had the strongest molecular binding activity against the INSR protein. Heterophylin is discovered in jackfruit fruit trees and Sanggenofuran A is present in mulberry trees. While Epigallocatechin-3-O-caffeate, is abundantly found in green tea plant

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Journal Info
Eksakta : Berkala Ilmiah Bidang MIPA
Website

Abbrev

eksakta

Publisher

Universitas Negeri Padang

Subject

Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Energy Engineering Environmental Science Materials Science & Nanotechnology Mathematics Mechanical Engineering

Description

Eksakta : Berkala Ilmiah Bidang MIPA (E-ISSN : 2549-7464) is an open access journal and peer-reviewed that publishes either original article or reviews. The journal is dedicated towards dissemination of knowledge related to the advancement in scientific research. The prestigious interdisciplinary ...