Chung, Jae Yoon Pasha, F. A. Chung, Hwanwon Yang, Beom-Seolk Lee, Cheolju Oh, Jung Soo Moon, Myoung-Woon Cho, Seung Joo Cho, Art E. 2024-01-20T23:33:12Z 2024-01-20T23:33:12Z 2021-08-31 2008-03-31 1738-642X https://pubs.kist.re.kr/handle/201004/133633 EGFR has been intensively investigated as a target to block the signal transduction pathway which stimulates cancer growth and metastasis. Studies about structure-activity relationship for tricyclic azepine derivatives were performed with topomer-CoMFA. The derived topomer-CoMFA model with steric and electrostatic field parameters based on fragment units gave reasonable statistics (q(2)=0.561, r(2)=0.679). The model explains why a halogen atom at the meta position of aniline is important to increases inhibitory activity. This comes from an electrostatically negative groups are favored near this region. The model also shows that there are sterically favored regions around methoxy group extended from oxazepine derivatives. The findings about steric and electrostatic effects can be utilized for designing new inhibitors. English KOREAN SOC TOXICOGENOMICS & TOXICOPROTEOMICS GROWTH-FACTOR RECEPTOR TYROSINE KINASE INHIBITORS DESIGN THERAPY Topomer-CoMFA study of tricyclic azepine derivatives-EGFR inhibitors Article 1 MOLECULAR & CELLULAR TOXICOLOGY, v.4, no.1, pp.78 - 84 MOLECULAR & CELLULAR TOXICOLOGY 4 1 78 84 scie kci other ART001465498 000254600500012 Biochemistry & Molecular Biology Toxicology Biochemistry & Molecular Biology Toxicology Article GROWTH-FACTOR RECEPTOR TYROSINE KINASE INHIBITORS DESIGN THERAPY topomer-CoMFA EGFR QSAR