Synthesis, biological evaluation and molecular docking studies of novel pyrrolo[2,3-d]pyrimidin-2-amine derivatives as EGFR inhibitors
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Sivaiah, G. | - |
dc.contributor.author | Raveesha, Rajaiah | - |
dc.contributor.author | Prasad, S. B. Benaka | - |
dc.contributor.author | Kumar, K. Yogesh | - |
dc.contributor.author | Raghu, Madihalli Srinivas | - |
dc.contributor.author | Alharti, Fahad A. | - |
dc.contributor.author | Prashanth, Maralekere Krishnegowda | - |
dc.contributor.author | Jeon, Byong Hun | - |
dc.date.accessioned | 2023-05-03T11:10:30Z | - |
dc.date.available | 2023-05-03T11:10:30Z | - |
dc.date.created | 2023-01-05 | - |
dc.date.issued | 2023-03 | - |
dc.identifier.issn | 0022-2860 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/hanyang/handle/2021.sw.hanyang/185166 | - |
dc.description.abstract | In the present investigation, we employed pyrrolo[2,3-d] pyrimidine, potassium amide, and liquid ammonia to synthesize pyrrolo[2,3-d]pyrimidin-2-amine derivatives (4a-n). Spectroscopic techniques and elemental analyses were used to determine the structure of the title compounds. For their in vitro cytotoxic activity against the human cancer cell lines MCF-7 (breast), HCT116 (colorectal), and HepG2 (liver), all the synthesized compounds were evaluated. These compounds 4a-n were exhibiting moderate to significant cytotoxic effects against all of the cancer cell lines evaluated. Further, the inhibitory effects of potent compounds (4d, 4e, 4f, 4h, 4i, and 4m) on epidermal growth factor receptor tyrosine kinase (EGFR-TK) were examined. Three compounds, 4d, 4f, and 4h, exhibited good inhibitory effects with IC50 values of 0.107, 0.159, and 0.196 µM, respectively. When potent compounds (4d, 4f, and 4h) were docked into the EGFR-TK protein's active region, it became clear that this protein would be an excellent target for the creation of novel anticancer drugs. All the compounds are compiled with Lipinski's rule of five, which suggests promise for development as oral drug candidates. | - |
dc.language | 영어 | - |
dc.language.iso | en | - |
dc.publisher | ELSEVIER | - |
dc.title | Synthesis, biological evaluation and molecular docking studies of novel pyrrolo[2,3-d]pyrimidin-2-amine derivatives as EGFR inhibitors | - |
dc.type | Article | - |
dc.contributor.affiliatedAuthor | Jeon, Byong Hun | - |
dc.identifier.doi | 10.1016/j.molstruc.2022.134728 | - |
dc.identifier.scopusid | 2-s2.0-85143653853 | - |
dc.identifier.wosid | 000904842000002 | - |
dc.identifier.bibliographicCitation | JOURNAL OF MOLECULAR STRUCTURE, v.1275, pp.1 - 9 | - |
dc.relation.isPartOf | JOURNAL OF MOLECULAR STRUCTURE | - |
dc.citation.title | JOURNAL OF MOLECULAR STRUCTURE | - |
dc.citation.volume | 1275 | - |
dc.citation.startPage | 1 | - |
dc.citation.endPage | 9 | - |
dc.type.rims | ART | - |
dc.type.docType | Article | - |
dc.description.journalClass | 1 | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.subject.keywordPlus | PYRROLOPYRIMIDINES | - |
dc.subject.keywordAuthor | Pyrimidine | - |
dc.subject.keywordAuthor | Pyrrole | - |
dc.subject.keywordAuthor | Anticancer | - |
dc.subject.keywordAuthor | Molecular docking | - |
dc.subject.keywordAuthor | EGFR | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0022286022023730?via%3Dihub | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
222, Wangsimni-ro, Seongdong-gu, Seoul, 04763, Korea+82-2-2220-1365
COPYRIGHT © 2021 HANYANG UNIVERSITY.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.