{"title":"FDA批准的药物和神经肽作为抗ErbB1和ErbB2的抗癌药物的再利用。","authors":"Sunil Kumar Patnaik, Akey Krishna Swaroop, Mudavath Ravi Naik, Jubie Selvaraj, Moola Joghee Nanjan Chandrasekar","doi":"10.1055/a-2030-4078","DOIUrl":null,"url":null,"abstract":"<p><p>ErbB1 and ErbB2 are the most important biological targets in cancer drug discovery and development of dual inhibitors for the cancer therapy. FDA approved drugs and Neuropep peptides were used to fit into the ATP binding site of the tyrosine kinases; ErbB1 and ErbB2 proteins. Cytoscape, iGEMDOCK, HPEPDOCK and DataWarrior softwares were used to study the role of these agents as anticancer drugs. Eleven FDA approved drugs and eleven Neuropep peptides showed the strongest 2D interactions and significant binding energy with the proteins. <i>Invitro</i> MTT anticancer assay revealed that, the test compounds, peptide YSFGL and doxorubicin showed significant IC<sub>50</sub> value (µM) of 26.417±0.660 and 7.675±0.278 respectively which are compared with the lapatinib standard IC<sub>50</sub> value (µM) of 2.380±0.357 against A549 cells and IC<sub>50</sub> value (µM) of 39.047±0.770 and 8.313±0.435 respectively which are compared with the lapatinib standard IC<sub>50</sub> value (µM) of 3.026±0.180 against MDA-MB-231 cells.</p>","PeriodicalId":11451,"journal":{"name":"Drug Research","volume":"73 6","pages":"341-348"},"PeriodicalIF":1.7000,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"Repurposing of FDA Approved Drugs and Neuropep peptides as Anticancer Agents Against ErbB1 and ErbB2.\",\"authors\":\"Sunil Kumar Patnaik, Akey Krishna Swaroop, Mudavath Ravi Naik, Jubie Selvaraj, Moola Joghee Nanjan Chandrasekar\",\"doi\":\"10.1055/a-2030-4078\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>ErbB1 and ErbB2 are the most important biological targets in cancer drug discovery and development of dual inhibitors for the cancer therapy. FDA approved drugs and Neuropep peptides were used to fit into the ATP binding site of the tyrosine kinases; ErbB1 and ErbB2 proteins. Cytoscape, iGEMDOCK, HPEPDOCK and DataWarrior softwares were used to study the role of these agents as anticancer drugs. Eleven FDA approved drugs and eleven Neuropep peptides showed the strongest 2D interactions and significant binding energy with the proteins. <i>Invitro</i> MTT anticancer assay revealed that, the test compounds, peptide YSFGL and doxorubicin showed significant IC<sub>50</sub> value (µM) of 26.417±0.660 and 7.675±0.278 respectively which are compared with the lapatinib standard IC<sub>50</sub> value (µM) of 2.380±0.357 against A549 cells and IC<sub>50</sub> value (µM) of 39.047±0.770 and 8.313±0.435 respectively which are compared with the lapatinib standard IC<sub>50</sub> value (µM) of 3.026±0.180 against MDA-MB-231 cells.</p>\",\"PeriodicalId\":11451,\"journal\":{\"name\":\"Drug Research\",\"volume\":\"73 6\",\"pages\":\"341-348\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2023-07-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Drug Research\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1055/a-2030-4078\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHARMACOLOGY & PHARMACY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Drug Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1055/a-2030-4078","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHARMACOLOGY & PHARMACY","Score":null,"Total":0}
Repurposing of FDA Approved Drugs and Neuropep peptides as Anticancer Agents Against ErbB1 and ErbB2.
ErbB1 and ErbB2 are the most important biological targets in cancer drug discovery and development of dual inhibitors for the cancer therapy. FDA approved drugs and Neuropep peptides were used to fit into the ATP binding site of the tyrosine kinases; ErbB1 and ErbB2 proteins. Cytoscape, iGEMDOCK, HPEPDOCK and DataWarrior softwares were used to study the role of these agents as anticancer drugs. Eleven FDA approved drugs and eleven Neuropep peptides showed the strongest 2D interactions and significant binding energy with the proteins. Invitro MTT anticancer assay revealed that, the test compounds, peptide YSFGL and doxorubicin showed significant IC50 value (µM) of 26.417±0.660 and 7.675±0.278 respectively which are compared with the lapatinib standard IC50 value (µM) of 2.380±0.357 against A549 cells and IC50 value (µM) of 39.047±0.770 and 8.313±0.435 respectively which are compared with the lapatinib standard IC50 value (µM) of 3.026±0.180 against MDA-MB-231 cells.
期刊介绍：
Drug Research (formerly Arzneimittelforschung) is an international peer-reviewed journal with expedited processing times presenting the very latest research results related to novel and established drug molecules and the evaluation of new drug development. A key focus of the publication is translational medicine and the application of biological discoveries in the development of drugs for use in the clinical environment. Articles and experimental data from across the field of drug research address not only the issue of drug discovery, but also the mathematical and statistical methods for evaluating results from industrial investigations and clinical trials. Publishing twelve times a year, Drug Research includes original research articles as well as reviews, commentaries and short communications in the following areas: analytics applied to clinical trials chemistry and biochemistry clinical and experimental pharmacology drug interactions efficacy testing pharmacodynamics pharmacokinetics teratology toxicology.
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