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  • 02월 26일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제115회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Identification of ligands for RNA target by in silico virtual screening

2015년 2월 11일 16시 46분 06초
BIO.O-6 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
금 12시 : 25분
생명화학 - Oral Presentation of Young Biochemists
저자 및
성균관대학교 약학연구소, Korea
Computational virtual screening is well known tool as a rapid discovery of small molecules in the early stage of drug discovery pipeline. Recently, increased information of biological role of RNA caused more attention of RNA as an attractive new drug target. In spite of limitation of features of RNA structures such as conformational flexibility, high negative charge and salvation, number of successful studies targeting RNA using protein based computer program and newly modified algorithms have been increased. In this talk, some successful cases of virtual screening targeting RNA will be introduced. We identified ligands for RNA pseudoknot of SARS-CoV(severe acute respiratory syndrome coronavirus) and stem-loop RNA of HIV (Human immunodeficiency virus type 1). Many RNA viruses that have small compact genome utilize programmed -1 ribosomal frameshifting (-1 FS) to regulate protein synthesis using a stimulatory RNA pseudoknot or RNA Stem-Loop structures. The integrity of RNA structure and stability is the important for maintaining the efficiency of ?1 FS, which is highly conserved in each virus. Thus, small molecule anti-frameshift agents interacting with viral RNA would be potential antiviral agents targeting ?1 FS system specifically. To identify novel anti-frameshift agent targeting RNAs, virtual screening of chemical database was conducted. After screening, candidate compounds were selected based on the docking score and visual inspection. Their biological activities were test by in vitro cell based assays. Both cases, we identified novel ligands that inhibited -1 RF efficiencies. They are interesting lead for the design of anti-frameshift agents which may control the protein synthesis in target RNA virus.