기관회원 [로그인]
소속기관에서 받은 아이디, 비밀번호를 입력해 주세요.
개인회원 [로그인]

비회원 구매시 입력하신 핸드폰번호를 입력해 주세요.
본인 인증 후 구매내역을 확인하실 수 있습니다.

회원가입
서지반출
HQSAR Study of Tricyclic Azepine Derivatives as an EGFR (Epidermal Growth Factor Receptor) Inhibitors
[STEP1]서지반출 형식 선택
파일형식
@
서지도구
SNS
기타
[STEP2]서지반출 정보 선택
  • 제목
  • URL
돌아가기
확인
취소
  • HQSAR Study of Tricyclic Azepine Derivatives as an EGFR (Epidermal Growth Factor Receptor) Inhibitors
  • HQSAR Study of Tricyclic Azepine Derivatives as an EGFR (Epidermal Growth Factor Receptor) Inhibitors
저자명
Chung. Hwan-Won,Lee. Kyu-Whan,Oh. Jung-Soo,Cho. Seung-Joo
간행물명
Molecular & cellular toxicology
권/호정보
2007년|3권 3호|pp.159-164 (6 pages)
발행정보
대한독성유전단백체학회
파일정보
정기간행물|ENG|
PDF텍스트
주제분야
기타
이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

Stimulation of epidermal growth factor receptor (EGFR) is essential in signaling pathway of tumor cells. Thus, EGFR has intensely studied as an anticancer target. We developed hologram quantitative structure activity relationship (HQSAR) models for data set which consists of tricyclic azepine derivatives showing inhibitory activities for EGFR. The optimal HQSAR model was generated with fragment size of 6 to 7 while differentiating fragments having different atom and connectivity. The model showed cross-validated $q^2$ value of 0.61 and non-cross-validated $r^2$ value of 0.93. When the model was validated with an external set excluding one outlier, it gave predictive $r^2$ value of 0.43. The contribution maps generated from this model were used to interpret the atomic contribution of each atom to the overall inhibition activity. This can be used to find more efficient EGFR inhibitors.