Das Diptimayee, Bihari Jena Atala, Banerjee Antara, Kumar Radhakrishnan Arun, Duttaroy Asim K, Pathak Surajit
Faculty of Allied Health Sciences, Chettinad Academy of Research and Education (CARE), Chettinad Hospital and Research Institute (CHRI), Chennai 603103, India.
Centre of Excellence in Integrated Omics and Computational Biology, Utkal University, Bhubaneswar 751004, Odisha, India.
Med Hypotheses. 2022 Sep;166:110926. doi: 10.1016/j.mehy.2022.110926. Epub 2022 Aug 3.
People living with HIV are more exposed to the adverse health effects of the worldwide COVID-19 pandemic. The pandemic's health and social repercussions may promote drug abuse and inadequate HIV management among this demographic. The coronavirus pandemic of 2019 (COVID-19) has caused unprecedented disruption worldwide in people's lives and health care. When the COVID-19 epidemic was identified, people with HIV faced significant obstacles and hurdles to achieving optimal care results. The viral spike protein (S-Protein) and the cognate host cell receptor angiotensin-converting enzyme 2 (ACE2) are both realistic and appropriate intervention targets. Calanolides A, Holy Basil, Kuwanon-L, and Patentiflorin have anti-HIV effects. Our computational biology study investigated that these compounds all had interaction binding scores related to S protein of coronavirus of -9.0 kcal /mol, -7.1 kcal /mol, -9.1 kcal /mol, and -10.3 kcal/mol/mol, respectively. A combination of plant-derived anti-HIV compounds like protease inhibitors and nucleoside analogs, which are commonly used to treat HIV infection, might be explored in clinical trials for the treatment of COVID-19.
艾滋病毒感染者更容易受到全球新冠疫情对健康的不利影响。疫情对健康和社会的影响可能会促使这一人群滥用药物以及对艾滋病毒的管理不足。2019年冠状病毒病(COVID-19)在全球范围内给人们的生活和医疗保健带来了前所未有的破坏。当新冠疫情被发现时,艾滋病毒感染者在实现最佳治疗效果方面面临重大障碍。病毒刺突蛋白(S蛋白)和同源宿主细胞受体血管紧张素转换酶2(ACE2)都是现实且合适的干预靶点。卡拉诺内酯A、圣罗勒、库瓦诺宁-L和芍药苷具有抗艾滋病毒作用。我们的计算生物学研究调查发现,这些化合物与冠状病毒S蛋白的相互作用结合分数分别为-9.0千卡/摩尔、-7.1千卡/摩尔、-9.1千卡/摩尔和-10.3千卡/摩尔。像蛋白酶抑制剂和核苷类似物这样常用于治疗艾滋病毒感染的植物源抗艾滋病毒化合物的组合,可能在治疗新冠的临床试验中进行探索。