Contemporary Medicinal Chemistry Strategies for the Discovery and Development of Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors,Journal of Medicinal Chemistry

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Contemporary Medicinal Chemistry Strategies for the Discovery and Development of Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors
Journal of Medicinal Chemistry ( IF 6.8 ) Pub Date : 2022-02-17 , DOI: 10.1021/acs.jmedchem.1c01758
Zhao Wang ₁ , Srinivasulu Cherukupalli ₁ , Minghui Xie ₁ , Wenbo Wang ₁ , Xiangyi Jiang ₁ , Ruifang Jia ₁ , Christophe Pannecouque ₂ , Erik De Clercq ₂ , Dongwei Kang _{1,

3} , Peng Zhan _{1,

3} , Xinyong Liu _{1,

3}

Affiliation

Currently, HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) are a major component of the highly active anti-retroviral therapy (HAART) regimen. However, the occurrence of drug-resistant strains and adverse reactions after long-term usage have inevitably compromised the clinical application of NNRTIs. Therefore, the development of novel inhibitors with distinct anti-resistance profiles and better pharmacological properties is still an enormous challenge. Herein, we summarize state-of-the-art medicinal chemistry strategies for the discovery of potent NNRTIs, such as structure-based design strategies, contemporary computer-aided drug design, covalent-binding strategies, and the application of multi-target-directed ligands. The strategies described here will facilitate the identification of promising HIV-1 NNRTIs.

中文翻译：

发现和开发新型 HIV-1 非核苷类逆转录酶抑制剂的当代药物化学策略

目前，HIV-1 非核苷类逆转录酶抑制剂 (NNRTIs) 是高效抗逆转录病毒治疗 (HAART) 方案的主要成分。但长期使用后耐药菌株的发生和不良反应不可避免地影响了NNRTIs的临床应用。因此，开发具有不同抗耐药性和更好药理特性的新型抑制剂仍然是一个巨大的挑战。在此，我们总结了用于发现有效 NNRTIs 的最先进的药物化学策略，例如基于结构的设计策略、当代计算机辅助药物设计、共价结合策略以及多靶点定向的应用配体。这里描述的策略将有助于识别有希望的 HIV-1 NNRTIs。

更新日期：2022-02-17

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