设计和发现用于治疗艾滋病的非核苷类逆转录酶抑制剂（NNRTIs）的最新进展。

IF 6 2区医学 Q1 PHARMACOLOGY & PHARMACY

Expert Opinion on Drug Discovery Pub Date : 2024-10-13 DOI:10.1080/17460441.2024.2415309

Junyi Li, Bing Ye, Shenghua Gao, Xinyong Liu, Peng Zhan

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引用次数: 0

摘要

导言：这篇综述概括了用于治疗艾滋病的非核苷类逆转录酶抑制剂（NNRTIs）的最新进展，重点关注有望克服现有疗法局限性（如耐药性和毒性）的新型结构设计：我们强调计算化学和基于结构的药物设计在改进 NNRTIs 方面的应用，以提高其有效性和安全性：专家观点：本综述强调了二芳基嘧啶、吲哚、DABOs 和 HEPTs 等多种化学支架的出现，揭示了具有纳摩尔药效和更好药代动力学的化合物。人工智能与药物发现的结合将加速 NNRTIs 的发展，为通过创新设计和多靶点策略解决抗 HIV 治疗时代的耐药性问题奠定基础。

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The latest developments in the design and discovery of non-nucleoside reverse transcriptase inhibitors (NNRTIs) for the treatment of HIV.

Introduction: This review encapsulates the recent strides in the development of non-nucleoside reverse transcriptase inhibitors (NNRTIs) for HIV treatment, focusing on the novel structural designs that promise to overcome limitations of existing therapies, such as drug resistance and toxicity.

Areas covered: We underscore the application of computational chemistry and structure-based drug design in refining NNRTIs with enhanced potency and safety.

Expert opinion: Highlighting the emergence of diverse chemical scaffolds like diarylpyrimidines, indoles, DABOs and HEPTs, the review reveals compounds with nanomolar efficacy and improved pharmacokinetics. The integration of artificial intelligence in drug discovery is poised to accelerate the evolution of NNRTIs, laying the foundation for addressing drug resistance in the era of anti-HIV therapy through innovative designs and multi-target strategies.

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来源期刊

Expert Opinion on Drug Discovery 医学-药学

CiteScore

10.20

自引率

1.60%

发文量

审稿时长

6-12 weeks

期刊介绍： Expert Opinion on Drug Discovery (ISSN 1746-0441 [print], 1746-045X [electronic]) is a MEDLINE-indexed, peer-reviewed, international journal publishing review articles on novel technologies involved in the drug discovery process, leading to new leads and reduced attrition rates. Each article is structured to incorporate the author’s own expert opinion on the scope for future development. The Editors welcome: Reviews covering chemoinformatics; bioinformatics; assay development; novel screening technologies; in vitro/in vivo models; structure-based drug design; systems biology Drug Case Histories examining the steps involved in the preclinical and clinical development of a particular drug The audience consists of scientists and managers in the healthcare and pharmaceutical industry, academic pharmaceutical scientists and other closely related professionals looking to enhance the success of their drug candidates through optimisation at the preclinical level.