… six novel ligands as potential inhibitors against SARS-CoV-2, including antiemetics rolapitant
… docking approach and virtual screening identified some promising candidate SARS-CoV-2 …

… of Sars-CoV-2 and using this information to infer the possible functional differences and
similarities with the related SARS coronavirus, Sars-CoV-2 … SARS (SARS- Cov), bat coronavirus (…

… SARS-CoV, NSP12-NSP7 interface model, and NSP12-NSP8 interface model were established
for virtual screening … energy calculations based on virtual screening and docking scores. …

… SARS-CoV-2 [16] were also included in our virtual screening runs as references. We next
retrieved the X-ray crystallographic structure of the SARS-CoV-… to virtual screening against the …

… were identified as candidates against SARS-CoV-2. This result … coronavirus. The candidate
compounds identified by us may help to speed up the drug development against SARS-CoV…

… step in a virtual screening (VS) protocol to predict SARS-CoV-2 … In addition, a set of known
150 SARS-CoV-2 M-pro inhibitors … of the potency of a SARS-CoV-2 M-pro inhibitor. Using two …

… SARS-CoV inhibitors have been identified as the top hits for SARS-CoV-2 in our docking
based virtual screening and … The docking-based virtual screening of three different data set (i) …

… In the present paper, a virtual screening based on pharmacophore point models was
performed for both commercially and academic available compounds (see Table 3 for a complete …

… SARS-CoV-2 genome such as NSP4, NSP15 and RdRp along-with the human ACE2
receptor which is the first point of contact with the virus. Virtual screening … domain of SARS-CoV-2). …

… protease (Mpro) of SARS-Cov-2 were identified through a docking-assisted virtual screening
procedure. A total of 4384 drugs, all approved for human use, were screened against three …