Coronavirus disease 2019 (COVID-19), caused by the novel coronavirus (SARS-CoV-2) is treated in accordance with symptoms, which is feasible and effective However, current therapeutic drugs are ineffective against this virus The development of targeted therapeutic drugs that are based on key proteins in SARS-CoV-2 replication and pathogenesis will provide a more effective means for clinical treatment In addition, because SARS- CoV-2 is an RNA virus, which typically mutate readily, new drug development against COVID-19 will be a longterm and arduous task New approaches to drug discovery for COVID-19 treatment using molecular simulation and machine learning algorithms, and based on the key proteins in the process of SARS-CoV-2 adsorption, entry into the host cell and viral replication are discussed herein, and we briefly introduce related work in our laboratory that can provide strategies to promote the discovery of drugs with different mechanisms of action
Ankur ChaudhuriIzaz Monir KamalSaikat Chakrabarti
Mário Roberto SengerTereza Cristina Santos EvangelistaRafael Ferreira DantasMarcos V. SantanaLuiz Carlos Saramago GonçalvesLauro Ribeiro de Souza NetoSabrina Baptista FerreiraFloriano Paes Silva
Marina Tropmann-FrickTobias Schreier
Yicheng LouKeyi ShenShihhao FangZelu HuangYan Lin