Gugan Kothandan, Thirumurthy Madhavan, Changdev G. Gadhe, Seung Joo Cho
언어
영어(ENG)
URL
https://www.earticle.net/Article/A153904
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원문정보
초록
영어
A pseudoreceptor combines structure-based and ligand-based techniques to represent a unifying concept for both receptor mapping and ligand matching. In this molecular modeling approach, there are opportunities to construct the pseudoreceptor models using a set of small molecules. To build a reliable pseudoreceptor model, we need a set of ligand molecules with known affinity (biological activity) to generate 3D bioactive conformation for each of these ligand molecules. Several software packages are available to generate a pseudoreceptor model and this can provide an entry point for structure based drug discovery in cases where receptor structure information is not available. In this review, we presented the concept of pseudoreceptor, as well as discussed about various software packages available to generate a pseudoreceptor model
목차
Abstract 1. Introduction 2. Concept of Pseudoreceptor 3. Methodology 4. Popular pseudoreceptor programs 4.1. ConCept - Fragement Based Model 4.2. FLARM - Atom Based Model 4.3. PrGen and Yak - Peptide Based Model 4.4. Quasar - Atom Based 4.5. RECEPS - Grid-Based Model 4.6. RECEPTOR - Isosurface Basedl 4.7. SKELGEN - Partition-Based Model 5. Application of Pseudoreceptor 6. Conclusions References
키워드
PseudoreceptorVirtual screeningQSAR
저자
Gugan Kothandan [ Department of Bio-New Drug Development, College of Medicine, Chosun University ]
Thirumurthy Madhavan [ Department of Bio-New Drug Development, College of Medicine, Chosun University ]
Changdev G. Gadhe [ Department of Bio-New Drug Development, College of Medicine, Chosun University ]
Seung Joo Cho [ Department of Bio-New Drug Development, College of Medicine, Chosun University, Department of Cellular, Molecular Medicine and Research Center for Resistant Cells, College of Medicine, Chosun University ]
Corresponding author
조선대학교 기초과학연구원 [The Natural Science Research Institute of Chosun]
설립연도
2008
분야
자연과학>자연과학일반
소개
본 연구원은 기초과학을 진흥하기 위한 연구·교육 및 그 보급을 목적으로 한다. 이 목적을 달성하기 위하여 다음 각 호의 사업을 수행한다.
1. 기초과학 제 분야에 관한 조사와 연구
2. 기초과학에 관한 학술행사(학술대회, 학술세미나, 심포지엄, 초청강연회 등) 개최
3. 학문후속세대 및 일반인을 위한 기초과학 교육
4. 기관지『조선자연과학논문지』 발간
5. 『자연과학연구총서』, 『자연과학번역총서』 등 단행본 발간
6. 기타 본 연구원의 목적과 관련된 사업
간행물
간행물명
통합자연과학논문집(구 조선자연과학논문집) [Journal of Integrative Natural Science]