id author title date pages extension mime words sentences flesch summary cache txt cord-294582-flkjekyo Hijikata, Atsushi Knowledge‐based structural models of SARS‐CoV‐2 proteins and their complexes with potential drugs 2020-05-25 .txt text/plain 4238 232 49 In order to assist structure‐based discovery efforts for repurposing drugs against this disease, we constructed knowledge‐based models of SARS‐CoV‐2 proteins and compared the ligand molecules in the template structures with approved/experimental drugs and components of natural medicines. Among these methods, SBDR is the most promising to find Abbreviations ACE2, angiotensin I-converting enzyme 2; MERS, Middle East respiratory syndrome; RBD, receptor-binding domain; SARS-CoV, severe acute respiratory syndrome coronavirus; SBDR, structure-based drug repositioning; WHO, World Health Organization. Also, the structural models of the complexes between SARS-CoV-2 proteins and potential drugs were proposed by comparing the ligand molecules of the proteins and approved, experimental, or natural drugs. A total of 11 ligand molecules were matched to 21 approved/experimental and 5 natural drugs, and the complex models of the SARS-CoV-2 proteins with several promising drugs, those with high similarity score or placed in higher ranking, were constructed as follows. ./cache/cord-294582-flkjekyo.txt ./txt/cord-294582-flkjekyo.txt