论文标题
新兴病毒疾病的旧药物，Covid-19：生物信息学的前瞻性
Old Drugs for Newly Emerging Viral Disease, COVID-19: Bioinformatic Prospective
论文作者
论文摘要
冠状病毒（Covid-19）在2019年底和2020年爆发包括全球严重，更有可能的大流行威胁。鉴于该疾病到目前为止尚未批准疫苗或药物，因此在这种情况下，基于其作用机理的药物设计和 /或旧药物的临床痕迹的任何努力都是值得且值得信赖的。在这种情况下，使用新近释放的COVID-19蛋白酶作为受体的坐标结构的经验丰富的对接实验，并在抗病毒药和抗生素药物中进行了周到选择的化学物质，作为配体可能在这种情况下启用。我们根据其化学结构从HIV-1蛋白酶抑制剂和二十一种候选药物中选择了9种药物，并根据其化学结构在不同的模式下，在类似天然的相互作用条件下，它们将其纳入盲人和活跃的位置导向对接。 Our findings suggest the binding capacity and the inhibitory potency of candidates are as follows Tipranavir>Indinavir>Atazanavir>Darunavir>Ritonavir>Amprenavir for HIV-1 protease inhibitors and Cefditoren>Cefixime>Erythromycin>Clarithromycin for anti bronchitis medicines.药物的生物利用度，它们的疏水性和结合位点的疏水性能以及其代谢率和人体失活的速度是其对病毒感染的总体影响的下一个决定因素，应通过临床试验来评估其对毒核酸核心病毒感染的疗法的净结果。
Coronavirus (COVID-19) outbreak in late 2019 and 2020 comprises a serious and more likely a pandemic threat worldwide. Given that the disease has not approved vaccines or drugs up to now, any efforts for drug design and or clinical trails of old drugs based on their mechanism of action are worthy and creditable in such circumstances. Experienced docking experiments using the newly released coordinate structure for COVID-19 protease as a receptor and thoughtfully selected chemicals among antiviral and antibiotics drugs as ligands may be leading in this context. We selected nine drugs from HIV-1 protease inhibitors and twenty-one candidates from anti bronchitis drugs based on their chemical structures and enrolled them in blind and active site-directed dockings in different modes and in native-like conditions of interactions. Our findings suggest the binding capacity and the inhibitory potency of candidates are as follows Tipranavir>Indinavir>Atazanavir>Darunavir>Ritonavir>Amprenavir for HIV-1 protease inhibitors and Cefditoren>Cefixime>Erythromycin>Clarithromycin for anti bronchitis medicines. The drugs bioavailability, their hydrophobicity and the hydrophobic properties of their binding sites and also the rates of their metabolisms and deactivations in the human body are the next determinants for their overall effects on viral infections, the net results that should survey by clinical trials to assess their therapeutic usefulness for coronavirus infections.
