Research Group on Development of Pharmaceutical Products (P&DProFar), Center for Biological and Health Sciences, Federal University of Western Bahia, Rua Bertioga, 892, Morada Nobre II, Barreiras CEP 47810-059, BA, Brazil.
Department of Pharmacology of the Biological Sciences Center, Federal University of Paraná, Jardim das Américas, Caixa. postal 19031, Curitiba CEP 81531-990, PR, Brazil.
Molecules. 2020 Sep 7;25(18):4086. doi: 10.3390/molecules25184086.
On March 11, 2020, the World Health Organization (WHO) officially declared the outbreak caused by the new coronavirus (SARS-CoV-2) a pandemic. The rapid spread of the disease surprised the scientific and medical community. Based on the latest reports, news, and scientific articles published, there is no doubt that the coronavirus has overloaded health systems globally. Practical actions against the recent emergence and rapid expansion of the SARS-CoV-2 require the development and use of tools for discovering new molecular anti-SARS-CoV-2 targets. Thus, this review presents bioinformatics and molecular modeling strategies that aim to assist in the discovery of potential anti-SARS-CoV-2 agents. Besides, we reviewed the relationship between SARS-CoV-2 and innate immunity, since understanding the structures involved in this infection can contribute to the development of new therapeutic targets. Bioinformatics is a technology that assists researchers in coping with diseases by investigating genetic sequencing and seeking structural models of potential molecular targets present in SARS-CoV2. The details provided in this review provide future points of consideration in the field of virology and medical sciences that will contribute to clarifying potential therapeutic targets for anti-SARS-CoV-2 and for understanding the molecular mechanisms responsible for the pathogenesis and virulence of SARS-CoV-2.
2020 年 3 月 11 日，世界卫生组织（WHO）正式宣布由新型冠状病毒（SARS-CoV-2）引起的疫情为大流行。这种疾病的迅速传播令科学界和医学界感到惊讶。根据最新的报告、新闻和已发表的科学文章，毫无疑问，冠状病毒已使全球卫生系统不堪重负。针对 SARS-CoV-2 的最近出现和迅速蔓延，需要制定和使用发现新的抗 SARS-CoV-2 分子靶标的工具。因此，本文综述了旨在协助发现潜在抗 SARS-CoV-2 药物的生物信息学和分子建模策略。此外，我们还综述了 SARS-CoV-2 与先天免疫之间的关系，因为了解涉及该感染的结构有助于开发新的治疗靶标。生物信息学是一种通过研究遗传测序并寻找 SARS-CoV2 中存在的潜在分子靶标结构模型来帮助研究人员应对疾病的技术。本文综述中提供的详细信息为病毒学和医学领域提供了未来的考虑要点，有助于阐明抗 SARS-CoV-2 的潜在治疗靶标，并了解 SARS-CoV-2 发病机制和毒力的分子机制。
