In Silico Evaluation of the Interactions Among Novel Phage Display-Selected Single Chain Variable Fragment (scFv) with CD24 Marker.
Background: Antibody is a considerable approach in the pharmaceutical industry, and many studies have been done on antibody fragment engineering. Objectives: The objective of this study is to evaluate the interaction between antigens and antibodies, which is a necessary step for designing an efficie...
| Published in: | International Journal of Cancer Management Vol. 16; no. 1; pp. 1 - 10 |
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| Main Authors: | , , , |
| Format: | pictorial research tables/charts Journal Article |
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Medical Journals Commission of the Ministry of Health & Medical Education
Dec2023
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| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=174742650&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 174742650 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 25384422 L6AI jtl: International Journal of Cancer Management issn: 25384422 maglogo: N pubinfo: dt: Dec2023 vid: 16 iid: 1 pid: 66482 pub: Medical Journals Commission of the Ministry of Health & Medical Education artinfo: ui: 174742650 174742650 174742650 10.5812/ijcm-136917 174742650 ppf: 1 ppct: 9 formats: fmt: @attributes: type: P tig: atl: In Silico Evaluation of the Interactions Among Novel Phage Display-Selected Single Chain Variable Fragment (scFv) with CD24 Marker. aug: au: Ghani, Sepideh Eyvazi, Shirin Ebrahimi, Zahra Bandehpour, Mojgan affil: Cellular and Molecular Biology Research Center, Shahid Beheshti University of Medical Sciences, Tehran, Iran sug: subj: Immunoglobulins, Fab Biological Markers Blood Antigens, Tumor Immunology Antibodies Cell Line, Tumor Antigen-Antibody Reactions Human Imaging, Three-Dimensional Simulations Data Analysis Software Amino Acids Hydrogen Antigens Immunologic Factors ab: Background: Antibody is a considerable approach in the pharmaceutical industry, and many studies have been done on antibody fragment engineering. Objectives: The objective of this study is to evaluate the interaction between antigens and antibodies, which is a necessary step for designing an efficient antibody with suitable properties for targeting cancer cells. Methods: In the current study, the 3-dimensional structure of the displayed-selected scFv antibody was constructed, using Sabpred Antibody Builder. The analysis of interactions between scFv and Cluster of differentiation 24 (CD24) was performed by computational docking and molecular dynamics (MD) simulation. Firstly, docking CD24 antigen to the new scFv antibody was done, using the ClusPro 2.0 web server, and residues involved in the interaction were identified. Secondly, using the GROMACS 4.5.3 package, MD simulations were performed. Results: By analyzing the antigen-antibody complex, the critical amino acids involved in these interactions were recognized. Thus, 15 hydrogen bonds between amino acids in light and heavy chains of antibodies and antigens were identified; most of the amino acids belonged to the complementarity-determining regions (CDRs) regions. Tyr148, which belongs to CDR1 of the VL chain by forming 4 hydrogen bonds with amino acids of the CD24 antigen, was considered an important amino acid in the CD24-scFv complex. Conclusions: Our bioinformatics study identified critical residues involved in antigen-antibody interaction, which could be considered an effective strategy for creating novel efficient fragmented antibodies with improved affinities for the CD24 receptor. pubtype: Academic Journal doctype: pictorial research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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