AUTHOR=Olufolabo Katherine Olabanjo , Lüersen Kai , Oguntimehin Samuel Ayoolu , Nchiozem-Ngnitedem Vaderament-A. , Agbebi Emmanuel Ayodeji , Faloye Kolade Olatubosun , Nyamboki Divinah Kwamboka , Rimbach Gerald , Matasyoh Josphat Clement , Schmidt Bernd , Moody Jones Olanrewaju 

TITLE=In vitro and in silico studies reveal antidiabetic properties of arylbenzofurans from the root bark of Morus mesozygia Stapf

JOURNAL=Frontiers in Pharmacology

VOLUME=15

YEAR=2024

URL=https://www.frontiersin.org/journals/pharmacology/articles/10.3389/fphar.2024.1338333

DOI=10.3389/fphar.2024.1338333

ISSN=1663-9812

ABSTRACT=<p>Diabetes remains an important disease worldwide with about 500 million patients globally. In tropical Africa, <italic>Morus mesozygia</italic> is traditionally used in the treatment of diabetes. Biological and phytochemical investigation of the root bark extracts of the plant led to the isolation of a new prenylated arylbenzofuran named 7-(3-hydroxy-3-methylbutyl)moracin M (<bold>1</bold>) and two congeners, moracins P (<bold>2</bold>) and M (<bold>3</bold>). When compared to acarbose (IC<sub>50</sub> = 486 µM), all the isolated compounds are better inhibitors of α-glucosidase with <italic>in vitro</italic> IC<sub>50</sub> values of 16.9, 16.6, and 40.9 µM, respectively. However, they were not active against α-amylase. The compounds also demonstrated moderate inhibition of dipeptidyl peptidase-4 (DPP4). Based on <italic>in silico</italic> docking studies, all isolates (<bold>1</bold>, <bold>2</bold>, and <bold>3</bold>) exhibit binding affinities of −8.7, −9.5, and −8.5 kcal/mol, respectively against α-glucosidase enzyme (PDB: 3AJ7). They are stabilized within the α-glucosidase active site through hydrogen bonds, pi interactions, and hydrophobic interactions. This study provides scientific support for the traditional use of <italic>Morus mesozygia</italic> in the treatment of diabetes as well as adding to the repository of α-glucosidase inhibitory agents.</p>