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10.1021/acs.jmedchem.1c00311 http://scihub22266oqcxt.onion/10.1021/acs.jmedchem.1c00311 33834772!ä!33834772 Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=33834772&cmd=llinks): Failed to open stream: HTTP request failed! HTTP/1.1 429 Too Many Requests in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 215 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       J+Med+Chem 2022 ; 65 (4): 2820-2826 Nephropedia Template TP {{tp|p=33834772|t=2022. Insights into SARS-CoV-2 s Mutations for Evading Human Antibodies: Sacrifice and Survival |pdf=|usr=}}{{33834772}} gab.com Text Insights into SARS-CoV-2 s Mutations for Evading Human Antibodies: Sacrifice and Survival JO: J Med Chem http://www.kidney.de/pget.php?&tw=1&pmid=33834772 #FOAvip The highly infectious SARS-CoV-2 variant B.1.351 that first emerged in South Africa with triple mutations (N501Y, K417N, and E484K) is globally worrisome. It is known that N501Y and E484K can enhance binding between the coronavirus receptor domain (RBD) and human ACE2. However, the K417N mutation appears to be unfavorable as it removes one interfacial salt bridge. Here, we show that despite the decrease in binding affinity (1.48 kcal/mol) between RBD and ACE2, the K417N mutation abolishes a buried interfacial salt bridge between the RBD and neutralizing antibody CB6. This substantially reduces their binding energy by 9.59 kcal/mol, thus facilitating the process by which the variant efficiently eludes CB6 (including many other antibodies). Our theoretical predictions agree with existing experimental findings. Harnessing the revealed molecular mechanisms makes it possible to redesign therapeutic antibodies, thus making them more efficacious. Twit Text FOAVip Insights into SARS-CoV-2 s Mutations for Evading Human Antibodies: Sacrifice and Survival ????J Med Chem http://www.kidney.de/pget.php?&tw=1&pmid=33834772 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=33834772 #FOAvip English Wikipedia <ref>{{Cite pmid|33834772}}</ref> Insights into SARS-CoV-2 s Mutations for Evading Human Antibodies: Sacrifice and Survival #MMPMID33834772 Luan B; Huynh T J Med Chem 2022[Feb]; 65 (4): 2820-2826 PMID33834772show ga The highly infectious SARS-CoV-2 variant B.1.351 that first emerged in South Africa with triple mutations (N501Y, K417N, and E484K) is globally worrisome. It is known that N501Y and E484K can enhance binding between the coronavirus receptor domain (RBD) and human ACE2. However, the K417N mutation appears to be unfavorable as it removes one interfacial salt bridge. Here, we show that despite the decrease in binding affinity (1.48 kcal/mol) between RBD and ACE2, the K417N mutation abolishes a buried interfacial salt bridge between the RBD and neutralizing antibody CB6. This substantially reduces their binding energy by 9.59 kcal/mol, thus facilitating the process by which the variant efficiently eludes CB6 (including many other antibodies). Our theoretical predictions agree with existing experimental findings. Harnessing the revealed molecular mechanisms makes it possible to redesign therapeutic antibodies, thus making them more efficacious. |Angiotensin-Converting Enzyme 2/genetics/*immunology[MESH] |Antibodies, Neutralizing/*immunology[MESH] |Antibodies, Viral/*immunology[MESH] |Humans[MESH] |Models, Molecular[MESH] |Mutation[MESH] |SARS-CoV-2/genetics/*immunology[MESH]Insights into SARS-CoV-2 s Mutations for Evading Human Antibodies: Sac(epmc).pdf DeepDyve Pubget Overpricing