针对印度 HIV 阳性人群中普遍存在的 HIV 抗药性变体,预测最有效 HAART 的硅学药物再利用方法。

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-01-01 DOI:10.24875/AIDSRev.24000010
Priya Kalsi, Priya Jain, Gitanjali Goyal, Himanshu Sharma
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引用次数: 0

摘要

艾滋病毒的流行仍然是全球公共卫生的一大负担,尤其是在中低收入国家。由于缺乏经批准的疫苗,抗逆转录病毒疗法(ART)仍是降低该疾病相关死亡率和发病率的主要方法。有效治疗 HIV-1 需要同时使用多种药物。然而,病毒可能对抗逆转录病毒药物产生抗药性,导致治疗失败。因此,这项研究的重点是评估印度 HIV 阳性人群中变异的发生率。在对数据进行评估后,我们打算为出现耐药变异的个体找出最有效的高活性抗逆转录病毒疗法(HAART)方案。此外,我们的分析还揭示了艾滋病毒变异的范围,这些变异对蛋白质稳定性的影响各不相同。这项分析的意义在于,它可以通过考虑流行率和改变稳定性的突变来优化 HIV 阳性个体的 HAART 选择。通过考虑突变对蛋白质稳定性的影响,我们可以修改治疗方案,提高治疗成功的可能性,降低耐药性风险。此外,这项研究还为更广泛的药物再设计领域做出了贡献,为合理设计抗逆转录病毒疗法提供了启示。
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In silico drug repurposing approach to predict most effective HAART for HIV drug resistance variants prevalent in the Indian HIV-positive population.

HIV epidemics still exist as a major global public health burden, especially in middle- and low-income countries. Given the lack of approved vaccines, antiretroviral therapy (ART) remains the primary approach to reduce the mortality and morbidity linked to this disease. Effective treatment for HIV-1 requires the simultaneous administration of multiple drugs. However, the virus can show resistance to antiretroviral drugs, resulting in treatment failure. Therefore, this study focused on assessing the prevalence of mutations within the Indian HIV-positive population. After assessing the data, we intended to identify the most effective highly active ART (HAART) regimens for individuals with drug-resistant variants. Furthermore, our analysis revealed a spectrum of HIV mutations, with varying effects on protein stability. The significance of this analysis lies in its potential to optimize HAART selection for HIV-positive individuals by accounting for both prevalence and stability-altering mutations. By considering mutation effects on protein stability, we can modify treatment regimens, increasing the likelihood of therapy success and diminishing the risk of resistance. Moreover, this study contributes to the broader field of drug repurposing, offering insights into the rational design of antiretroviral therapies.

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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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