این سایت در حال حاضر پشتیبانی نمی شود و امکان دارد داده های نشریات بروز نباشند
Journal of Medical Microbiology and Infectious Diseases، جلد ۹، شماره ۳، صفحات ۱۵۶-۱۶۹
عنوان فارسی
چکیده فارسی مقاله
کلیدواژه‌های فارسی مقاله
عنوان انگلیسی Enhancement of SARS-CoV-2 Receptor Binding Domain -CR3022 Human Antibody Binding Affinity via In silico Engineering Approach
چکیده انگلیسی مقاله Introduction: The angiotensin-converting enzyme 2 (ACE2) is the effective primary receptor for SARS-CoV-2. The interaction between ACE2 and the spike protein of the virus is the crucial step for virus entry into the target cells. ACE2 receptor can be blocked by neutralizing antibodies (nAbs) such as CR3022 which targets the virus receptor-binding site. Enhancing the binding affinity between CR3022 and ACE2 would lead to a more efficient blockade of virus entry. Methods:  In this regard, the amino acids with central roles in the binding affinity of CR3022 antibody to spike protein were substituted. The best mutations to increase the affinity of antibodies were also selected based on protein-protein docking and molecular dynamics simulations. Result: The variants 45 (H:30I/G, H:55D/F, H: 103S/Y, L:59T/F, L:98Y/A), 60(H:31T/D, H:55D/E,  H:103S/Y, L:59T/D, L:98Y/F), 67(H:30I/G, H:55D/F, H:103S/Y, L:56 W/L, L:59T/Y, L:61E/G), 69(H:31T/D,  H:55D/F,   H:103S/Y, L:59T/F, L:98Y/A), and 71(H: 31T/D, H:55D/F, H:103S/Y) with respective binding affinities of -167.3, -167.5, -161.6, -173.0, and -169.8 Kcal/mol had higher binding affinities against the RBD of the SARS-CoV2 spike protein compared to the wild-type Ab. Conclusion: The engineered antibodies with higher binding affinities against the target protein can improve specificity and sensitivity. Thus, a more successful blockade of the ACE2 is achieved, resulting in a better therapeutic outcome. In silico studies can pave the way for designing these engineered molecules avoiding the economic and ethical challenges.  
کلیدواژه‌های انگلیسی مقاله Coronavirus, SARS-COV-2, Antibody, Bioinformatics, Affinity maturation
نویسندگان مقاله | Fateme Sefid
yazd


| zahra payandeh
Immunology Research Center, Tabriz University of Medical Sciences, Tabriz, iran


| Bahman Khalesi
Department of Research and Production of Poultry Viral Vaccine, Razi Vaccine and Serum Research Institute, Agricultural Research Education and Extension Organization, Karaj, Iran


| Behzad Mansoori
Department of Medical Genetics, Shahid Sadoughi University of Medical Science, Yazd, Iran; 2Department of Biology, Science and Arts University, Yazd, Iran


| Marzieh Fotovvat
Department of Plant Science, Faculty of Biological Sciences, Kharazmi University, Tehran, Iran


| Maryam Touhidinia
Department of Biology, Faculty of Science, Yazd University, Yazd, Iran
نشانی اینترنتی http://jommid.pasteur.ac.ir/browse.php?a_code=A-10-149-7&slc_lang=en&sid=1
فایل مقاله فایلی برای مقاله ذخیره نشده است
کد مقاله (doi)
زبان مقاله منتشر شده en
موضوعات مقاله منتشر شده Immune responses, deficiencies and vaccine candidates
نوع مقاله منتشر شده Original article
برگشت به: صفحه اول پایگاه   |   نسخه مرتبط   |   نشریه مرتبط   |   فهرست نشریات