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In silico designing and optimization of anti-epidermal growth factor receptor scaffolds by complementary-determining regions-grafting technique

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Quantitative Biology 2024年第3期12卷 301-312页

作者： Razieh Rezaei Adriani Seyed Latif Mousavi Gargari hamid bakherad Jafar Amani Department of Biology Shahed UniversityTehranIran Department of Pharmaceutical Biotechnology School of Pharmacy and Pharmaceutical SciencesIsfahan University of Medical SciencesIsfahanIran Applied Microbiology Research Center System Biologyand Poisonings InstituteBaqiyatallah University of Medical SciencesTehranIran

Monoclonal antibodies are attractive therapeutic agents in a wide range of human disorders that bind specifically to their target through their complementary-determining regions(CDRs).Small proteins with structurally preserved CDRs are promising antibodies *** this in silico study,we presented new antibody mimetics against the cancer marker epidermal growth factor receptor(EGFR)created by the CDRs grafting *** potential graft acceptor sites that efficiently immobilize the grafted CDR loops were selected from three small protein scaffolds using a *** three most involved CDR loops in antibody-receptor interactions extracted from panitumumab antibody against the EGFR domain III crystal structure were then grafted to the selected scaffolds through the loop randomization *** combination of three CDR loops and 10 grafting sites revealed that three of the 36 combinations showed specific binding to EGFR DIII by binding energy ***,the present strategy and selected small protein scaffolds are promising tools in the design of new binders against EGFR with high binding energy.

关键词： CDR grafting technique EGFR molecular dynamic simulation panitumumab

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