Impacts of Analogy and Dimerization of Bioactive Compounds on Molecular Biological Functions
Toluwase H. Fatoki, Oladoja A. Awofisayo, Olusola A. Ogunyewo, Harriet U. Ugboko, David M. Sanni
Journal of Advances in Medical and Pharmaceutical Sciences · pp. 1–14 · Published 21 Dec 2018
10.9734/JAMPS/2018/45211Abstract
Aim: To determine the effect of analogy and dimerization of bioactive compounds at the molecular level on the biological functions. Methodology: This work was carried out on a model set of bioactive compounds which consisted of resveratrol, piceatannol, isorhapontigenin, scirpusin A and scirpusin B, using computational methods which include target prediction, pharmacokinetics prediction, and molecular docking. Results: It was observed that the increase in structural complexity reduces the solubility and gastrointestinal absorption but it does not affect the bioavailability score. The probability of target decreases with increasing structural complexity. In most of the targets, different molecular parameters were observed which exists between compound resveratrol and piceatannol as well as between scirpusin A and scirpusin B, while resveratrol, isorhapontigenin, and scirpusin B showed the related mode of molecular modulation in most of the targets. Conclusion: The model of this study showed that natural bioactive dimer compounds have high binding affinity than its monomer in most cases and that usually with a different mechanism of action.
Cited by 8
Toluwase Hezekiah Fatoki, Omodele Ibraheem, Oladoja A Awofisayo · Bioinformatics and Biology Insights · 2020
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Toluwase Hezekiah Fatoki, Omodele Ibraheem, Ibukun Oladejo Ogunyemi · Journal of Biomolecular Structure and Dynamics · 2020
Toluwase H. Fatoki · Current Chemical Biology · 2020
Omodele Ibraheem, Toluwase Hezekiah Fatoki, Jesupemi Mercy Enibukun · Nova Biotechnologica et Chimica · 2019
Morenikejimi Bello, Bidemi Jiddah-kazeem, Toluwase Hezekiah Fatoki · Biocatalysis and Agricultural Biotechnology · 2021
Dintakurthi Sree Naga Bala Krishna Prasanth, Praveen Kumar Pasala, Deepak A. Yaraguppi · Pharmacological Research - Natural Products · 2025
Harriet U Ugboko, Obinna C Nwinyi, Solomon U Oranusi · Bioinformatics and Biology Insights · 2019
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