Proposed molecular mechanism of non-competitive inhibition using molecular dynamics simulations between α-glucosidase enzyme and mangostin compound as antidiabetic.

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Title: Proposed molecular mechanism of non-competitive inhibition using molecular dynamics simulations between α-glucosidase enzyme and mangostin compound as antidiabetic.
Authors: Maulana AF; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Padjadjaran University, Jatinangor, Sumedang, 45363, Indonesia., Maksum IP; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Padjadjaran University, Jatinangor, Sumedang, 45363, Indonesia. iman.permana@unpad.ac.id., Sriwidodo S; Department of Pharmacy and Pharmaceutical Technology, Faculty of Pharmacy, Padjadjaran University, Jatinangor, Sumedang, 45363, Indonesia., Rukayadi Y; Department of Food Science, Faculty of Food Science and Technology, Universiti Putra Malaysia, 43400, Serdang, Selangor, Malaysia.
Source: Journal of molecular modeling [J Mol Model] 2024 Apr 18; Vol. 30 (5), pp. 136. Date of Electronic Publication: 2024 Apr 18.
Publication Type: Journal Article
Journal Info: Publisher: Springer Country of Publication: Germany NLM ID: 9806569 Publication Model: Electronic Cited Medium: Internet ISSN: 0948-5023 (Electronic) Linking ISSN: 09485023 NLM ISO Abbreviation: J Mol Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:0948-5023
DOI:10.1007/s00894-024-05934-z