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Article

Computer aided drug discovery (CADD) of a thieno[2,3-d]pyrimidine derivative as a new EGFR inhibitor targeting the ribose pocket.

Journal of biomolecular structure & dynamics - 1 Mar 2024

Sobh Eman A, Dahab Mohammed A, Elkaeed Eslam B, Alsfouk Aisha A, Ibrahim Ibrahim M, Metwaly Ahmed M, Eissa Ibrahim H

Abstract excerpt

Depending on the pharmacophoric characteristics of EGFR inhibitors, a new thieno[2,3-d]pyrimidine derivative has been developed. Firstly, the potential inhibitory effect of the designed compound against EGFR has been proven by docking experiments that showed correct binding modes and excellent binding energies of -98.44 and -88.00 kcal/mol, against EGFR wild-type and mutant type, respectively. Furthermore, MD...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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Identifiers

PMID: 37129193
DOI: 10.1080/07391102.2023.2204500

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 3 Sept 2026.

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