PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 33080900-0 2020 In silico Investigation on the Inhibiting Role of Nicotine/Caffeine by Blocking the S Protein of SARS-CoV-2 Versus ACE2 Receptor. Nicotine 50-58 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 84-85 33080900-2 2020 The simulations reveal the efficient blocking of ACE2 by caffeine and nicotine in the exposure to the spike (S) protein of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Nicotine 70-78 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 102-107 33080900-2 2020 The simulations reveal the efficient blocking of ACE2 by caffeine and nicotine in the exposure to the spike (S) protein of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Nicotine 70-78 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 109-110 33080900-3 2020 We have selected the two most important active sites of ACE2-S protein, i.e., 6LZG and 6VW1, which are critically responsible in the interaction of S protein to the receptor and thus, we investigated their interaction with nicotine and caffeine through MD simulations. Nicotine 223-231 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 61-62 33080900-5 2020 Our results reveal that caffeine or nicotine in a specific molar ratio to 6LZG shows a very strong interaction and indicate that caffeine is more efficient in the interaction with 6LZG and further blocking of this site against S protein binding. Nicotine 36-44 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 227-228 33080900-6 2020 Further, we investigated the interaction of ACE2 receptor- S protein with nicotine or caffeine when mixed with candidate or approved antiviral drugs for SARS-CoV-2 therapy. Nicotine 74-82 surface glycoprotein Severe acute respiratory syndrome coronavirus 2 59-60