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논문 기본정보
논문 개요
| 기관명 | NDSL |
|---|---|
| 저널명 | 약학회지 |
| ISSN | 0377-9556, |
| ISBN |
논문저자 및 소속기관 정보
| 저자(한글) | 변진주,박민호,신석호,신영근 |
|---|---|
| 저자(영문) | |
| 소속기관 | |
| 소속기관(영문) | |
| 출판인 | |
| 간행물 번호 | |
| 발행연도 | 2015-01-01 |
| 초록 | The purpose of this study is to demonstrate how lead compounds are best optimized with the application of in silico QSAR and PBPK modeling at the early drug discovery stage. Several predictive QSAR models such as $IC_{50}$ potency model, intrinsic clearance model and brain penetration model were built and applied to a set of virtually synthesized library of the BACE1 inhibitors. Selected candidate compounds were also applied to the PBPK modeling for comparison between the predicted animal pharmacokinetic parameters and the observed ones in vivo. This novel lead optimization strategy using QSAR and PBPK modelings could be helpful to expedite the drug discovery process. |
| 원문URL | http://click.ndsl.kr/servlet/OpenAPIDetailView?keyValue=03553784&target=NART&cn=JAKO201528660943362 |
| 첨부파일 |
추가정보
| 과학기술표준분류 | |
|---|---|
| ICT 기술분류 | |
| DDC 분류 | |
| 주제어 (키워드) | lead optimization,QSAR modeling,PBPK modeling,$StarDrop^{TM}$,ADMET $predictor^{TM}$,$GastroPlus^{TM}$ |