An Insight into the Physicochemical, Drug-likeness, Pharmacokinetics and Toxicity Profile of Kigelia africana (Lam) Bioactive Compounds

Sulyman Olalekan Ibrahim, Halimat Yusuf Lukman, Marili Funmilayo Zubair, Oluwagbemiga Tayo Amusan, Fatimah Ronke Abdulkadri, Bashir Lawal, Lateefat Bello Abdulfatah, Olubunmi Atolani
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Abstract

Kigelia africana plant is multipurpose plant whose therapeutic potential has been thoroughly investigated. The physicochemical, solubilities, ADMET, pharmacological, and drug-like properties of this plant have not been reported in details. This study makes use of the information that is currently known on the chemical make-up of the plant to forecast its overall toxicity as well as the potential for the phytochemicals it contains to be employed in medication discovery. The study also employed free web servers for the lipophilicity, water solubility, drug-likness, bioavailability score, medicinal chemistry and toxicological profiling of the compounds of K. africana. Artemether, a known antimalaria drug was used to validate the potentials of the phytochemicals to serve as precursor to valuable drugs. Findings from our study revealed that a larger percentage of these compounds passed the physicochemical properties analysis, low lipophilicities, high-water solubilities, obeyed the drug-likeness rules, had high gastrointestinal absorption, high blood-barrier permeant, low permeability glycoprotein and hence bioavailable. The toxicological profile additionally showed that majority of the compounds possessed low toxicities and thus can be a potential drug candidate in the drug development industry. The profile of the well-known artemether supported the study's findings that a higher proportion of the K. africana compounds have potential drug-like molecules.
非洲木参(Lam)生物活性化合物的理化、药物相似性、药代动力学和毒性研究
非洲木兰花是一种多用途植物,其治疗潜力已被充分研究。该植物的理化、溶解度、ADMET、药理和类药物性质尚未有详细报道。这项研究利用了目前已知的植物化学组成的信息来预测其整体毒性,以及它所含的植物化学物质在药物发现方面的潜力。本研究还利用免费的web服务器对非洲黑桫树的化合物进行亲脂性、水溶性、药物样度、生物利用度评分、药物化学和毒理学分析。使用已知的抗疟疾药物蒿甲醚来验证植物化学物质作为有价值药物前体的潜力。我们的研究结果表明,这些化合物通过理化性质分析的比例较大,低亲脂性,高水溶性,符合药物相似规则,具有高胃肠道吸收,高血屏障渗透,低渗透糖蛋白,因此具有生物利用性。毒理学分析还表明,大多数化合物具有低毒性,因此可以成为药物开发行业的潜在候选药物。众所周知的蒿甲醚的特征支持了这项研究的发现,即更高比例的非洲蓟化合物具有潜在的药物样分子。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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