Therapeutic Potential of Simvastatin: Cellular Mechanism, Binding Energetics, and Resistance Developments.

IF 3.3 4区 医学 Q3 CHEMISTRY, MEDICINAL Current topics in medicinal chemistry Pub Date : 2025-01-01 DOI:10.2174/0115680266327892241223052456
Shristy Verma, Rishabha Malviya, Sonali Sundram, Saurabh Srivastava, Sathvik Belagodu Sridhar, Safia Obaidur Rab, Deependra Pratap Singh
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Abstract

Statins are a class of hypolipidemic agents that have been shown to promote osteogenic differentiation through enhanced alveolar bone recovery, inserted osseointegration, and cartilage regeneration. This review uses Molecular Docking (MD) simulations and additional Computer- Aided Drug Design (CADD) methods to present the state of the art in statin therapy. Furthermore, several studies have shown that factors such as limited overall absorption, metabolism in the first pass, and systemic side effects are among those that affect the oral administration of statins. In addition, these variables include susceptibility to efflux mechanisms, drug permeability, dissolution percentage, aqueous solubility, initial metabolism, and pre-systemic metabolism. Additionally examined are the pharmacokinetics of the statin and in vivo mechanisms of action. As a result of the numerous problems associated with the consumption of statins, including their low total bioavailability, first-pass metabolism, low aqueous solubility, and systemic adverse reactions, a non-oral mode of administration was looked into for this crucial and primary class of pharmacokinetic agents. However, to optimize bioavailability and minimize side effects, more research is required.

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辛伐他汀的治疗潜力:细胞机制、结合能量学和耐药性发展。
他汀类药物是一类降血脂药物,已被证明通过增强牙槽骨恢复、插入骨整合和软骨再生来促进成骨分化。本综述使用分子对接(MD)模拟和其他计算机辅助药物设计(CADD)方法来介绍他汀类药物治疗的最新进展。此外,一些研究表明,诸如有限的总体吸收、第一次代谢和全身副作用等因素都是影响他汀类药物口服给药的因素。此外,这些变量还包括对外排机制的敏感性、药物渗透性、溶解百分比、水溶性、初始代谢和全身前代谢。另外还检查了他汀类药物的药代动力学和体内作用机制。由于与他汀类药物的使用相关的许多问题,包括其低总生物利用度,首次代谢,低水溶性和全身不良反应,研究人员研究了非口服给药模式,用于这类至关重要和主要的药代动力学药物。然而,为了优化生物利用度和减少副作用,还需要更多的研究。
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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来源期刊
CiteScore
6.40
自引率
2.90%
发文量
186
审稿时长
3-8 weeks
期刊介绍: Current Topics in Medicinal Chemistry is a forum for the review of areas of keen and topical interest to medicinal chemists and others in the allied disciplines. Each issue is solely devoted to a specific topic, containing six to nine reviews, which provide the reader a comprehensive survey of that area. A Guest Editor who is an expert in the topic under review, will assemble each issue. The scope of Current Topics in Medicinal Chemistry will cover all areas of medicinal chemistry, including current developments in rational drug design, synthetic chemistry, bioorganic chemistry, high-throughput screening, combinatorial chemistry, compound diversity measurements, drug absorption, drug distribution, metabolism, new and emerging drug targets, natural products, pharmacogenomics, and structure-activity relationships. Medicinal chemistry is a rapidly maturing discipline. The study of how structure and function are related is absolutely essential to understanding the molecular basis of life. Current Topics in Medicinal Chemistry aims to contribute to the growth of scientific knowledge and insight, and facilitate the discovery and development of new therapeutic agents to treat debilitating human disorders. The journal is essential for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important advances.
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