{"title":"PVDF膜抗人Erα、EGFR、CDK2、mTOR和HSP90蛋白的分子对接分析","authors":"Fatma Kubra Ata, Gülçin Özevci","doi":"10.33793/acperpro.05.03.14021","DOIUrl":null,"url":null,"abstract":"Porous membranes are used in biological and chemical systems and industrial applications. Polyvinylidene fluoride film (PVDF) membrane is a commercial membrane used in drug delivery, protein immobilization, food industry, tissue engineering, and medical devices. Because of providing a large surface area in this study PVDF membrane is used. Molecular docking is a molecular modeling simulation software especially used to determine protein-ligand interactions. The aim of the study is to determine the interaction of hydrophobic PVDF membranes on Erα, EGFR, CDK2, mTOR, and HSP90 proteins by docking method and to examine its potential as a possible drug carrier. The three-dimensional structure of the receptors has been acquired from the RCSB protein data bank and is docked with 3D PubChem of PVDF using AutoDock 1.5.6 software. The results have shown that the PVDF membrane had the best docking score for mTOR between the investigated proteins.","PeriodicalId":207070,"journal":{"name":"Academic Perspective Procedia","volume":"144 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-11-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Molecular Docking Analysis of PVDF Membrane Against Human Erα, EGFR, CDK2, mTOR, and HSP90 Proteins\",\"authors\":\"Fatma Kubra Ata, Gülçin Özevci\",\"doi\":\"10.33793/acperpro.05.03.14021\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Porous membranes are used in biological and chemical systems and industrial applications. Polyvinylidene fluoride film (PVDF) membrane is a commercial membrane used in drug delivery, protein immobilization, food industry, tissue engineering, and medical devices. Because of providing a large surface area in this study PVDF membrane is used. Molecular docking is a molecular modeling simulation software especially used to determine protein-ligand interactions. The aim of the study is to determine the interaction of hydrophobic PVDF membranes on Erα, EGFR, CDK2, mTOR, and HSP90 proteins by docking method and to examine its potential as a possible drug carrier. The three-dimensional structure of the receptors has been acquired from the RCSB protein data bank and is docked with 3D PubChem of PVDF using AutoDock 1.5.6 software. The results have shown that the PVDF membrane had the best docking score for mTOR between the investigated proteins.\",\"PeriodicalId\":207070,\"journal\":{\"name\":\"Academic Perspective Procedia\",\"volume\":\"144 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-11-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Academic Perspective Procedia\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.33793/acperpro.05.03.14021\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Academic Perspective Procedia","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.33793/acperpro.05.03.14021","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Molecular Docking Analysis of PVDF Membrane Against Human Erα, EGFR, CDK2, mTOR, and HSP90 Proteins
Porous membranes are used in biological and chemical systems and industrial applications. Polyvinylidene fluoride film (PVDF) membrane is a commercial membrane used in drug delivery, protein immobilization, food industry, tissue engineering, and medical devices. Because of providing a large surface area in this study PVDF membrane is used. Molecular docking is a molecular modeling simulation software especially used to determine protein-ligand interactions. The aim of the study is to determine the interaction of hydrophobic PVDF membranes on Erα, EGFR, CDK2, mTOR, and HSP90 proteins by docking method and to examine its potential as a possible drug carrier. The three-dimensional structure of the receptors has been acquired from the RCSB protein data bank and is docked with 3D PubChem of PVDF using AutoDock 1.5.6 software. The results have shown that the PVDF membrane had the best docking score for mTOR between the investigated proteins.
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