Plant Science Today, ISSN 2348-1900 (online) OPEN ACCESS ARTICLE HISTORY Received: 17 January 2023 Accepted: 06 March 2023 Available online Version 1.0 : 20 April 2023 Version 2.0 : 01 July 2023 Additional information Peer review: Publisher thanks Sectional Editor and the other anonymous reviewers for their contribution to the peer review of this work. Reprints & permissions information is avail- able at https://horizonepublishing.com/ journals/index.php/PST/open_access_policy Publisher’s Note: Horizon e-Publishing Group remains neutral with regard to jurisdic- tional claims in published maps and institu- tional afiliations. Indexing: Plant Science Today, published by Horizon e-Publishing Group, is covered by Scopus, Web of Science, BIOSIS Previews, Clarivate Analytics, NAAS, UGC Care, etc See https://horizonepublishing.com/journals/ index.php/PST/indexing_abstracting Copyright: © The Author(s). This is an open- access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution and reproduction in any medium, provided the original author and source are credited (https://creativecommons.org/licenses/ by/4.0/) CITE THIS ARTICLE Ogunlakin A D, Onifade T R, Gyebi G A, Obafemi B A , Ojo O A, In silico pharmacology and bioavaila- bility of bioactive constituents from Triclisia subcordata (Oliv), an underutilized medicinal plant in Nigeria Plant Science Today. 2023;10(3): 260–268. https://doi.org/10.14719/pst.2292 Abstract Medicinal plants are rich sources of traditional medicines from which many modern medicines are made. Triclisia subcordata Oliv. is one among the underutilized medicinal plants in the Southwestern part of Nigeria. There- fore, this study was designed to present comprehensive data from the liter- ature on pharmacological uses of T. subcordata and its phytochemistry, and to predict the pharmacology and bioavailability of the phytoconstituents isolated so far from T. subcordata through an in silico approach. T. subcor data has high antioxidant activity and so it isthus used to treat oxidative stress-related diseases such as inflammation and diabetes. It also has anti- bacterial, antifungal, antimalarial and smooth muscle relaxing properties. It is a potent inhibitor of enzymes such as alpha-amylase and alpha- glucosidase. It has also traditionally been used in cancer treatment. One of the bisbenzylisoquinoline (BBIQ) alkaloids isolated from this plant, cy- cleanine, showed selectivity for ovarian cancer cell lines. The presence of phytochemicals such as cyanogenic glycosides and tannins in low concen- trations in T. subcordata has also been reported to make it edible to hu- mans. The results of predicted absorption, distribution, metabolism, excre- tion and toxicity was analyzed on the webserver ’ADEMTLab 2.0‘ . Prediction of activity studies for the four bisbenzylisoquinoline alkaloids isolated so far from this plant supported anticancer, antimicrobial, antidiabetic, antiulcer, antimalarial activities as well as muscle relaxant efect. Moreover, new ac- tivities including stimulation of leukopoiesis, inhibition of membrane per- meability , inhibition of kinase and nicotinic alpha4beta4 receptor agonist properties were also predicted through in silico investigation. From our find- ings, these phytoconstituents could be lead candidates in drug discovery, since this plant is safe for human consumption. Keywords Triclisia subcordata, phytochemicals, pharmacology, ADMET, bioavailability Introduction Medicinal plants are rich sources of traditional medicines from which many modern medicines are made (1). Medicinal plants have been reported to contain biologically active compounds with therapeutic properties, and RESEARCH ARTICLE PLANT SCIENCE TODAY ISSN 2348-1900 (online) Vol 10(3): 260–268 https://doi.org/10.14719/pst.2292 HORIZON e-Publishing Group In silico pharmacology and bioavailability of bioactive constituents from Triclisia subcordata (Oliv.), an underutilized medicinal plant in Nigeria Akingbolabo Daniel Ogunlakin 1 *, Taiwo Rukayat Onifade 2 , Gideon Ampoma Gyebi 3 , Blessing Ariyo Obafemi 4 & Oluwafemi Adeleke Ojo 1 1 Phytomedicine, Molecular Toxicology, and Computational Biochemistry Research Laboratory (PMTCB -RL), Dept. of Biochemistry, Bowen University, Iwo, 232101, Nigeria 2 Department of Pharmacognosy, Faculty of Pharmacy, University of Ibadan, Ibadan, Nigeria 3 Natural products and Structural (Bio-Chem)-Informatics Research Laboratory (NpsBC- RI), Dept. of Biochemistry, Bingham University, Karu, Nigeria 4 Department of Medical Biochemistry, College of Medicine and Health Sciences, Afe Babalola University, Ado -Ekiti, Nigeria *Email: gbolaogunlakin@gmail.com