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  • 08월 18일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제108회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Druggability from PhysChem to ADME/Tox for New Drug Design

2011년 8월 5일 08시 46분 41초
MEDI-4 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
목 15시 : 20분
의약화학 - New Technology in Drug Discovery
저자 및
안성훈, 송진숙, 이병회, 우재춘, 배명애
한국화학연구원 신약플랫폼기술팀, Korea
New drug discovery is an exceedingly complex. The development of a new drug that saved millions of lives and enhanced the quality of life for numerous people across the globe is owing to research and development efforts by pharmaceutical/biotechnology companies worldwide. The integration of efficacy, safety, and pharmacokinetic data can be considered to enhance successful drug development. Especially, druggability based on physicochemical properties is important to confer good ADME/Tox characteristics for good efficacy and safety on preclinical and clinical trials. Druggability has always been a prominent component of the development phase, after discovery, during which detailed studies are performed on formulation, stability, pharmacokinetics, metabolism, and toxicity. The intrinsic properties of the new molecules are the responsibility of the medicinal chemists to optimize not only the pharmacological properties but also the drug-like properties of these molecules. In view of biological aspects, low solubility, permeability, or stability in assay media can alter the biological data used to develop structure-activity relationships, a key aspect of drug discovery. Physicochemical properties such as solubility, permeability, and chemical stability based on structural properties (hydrogen bonding, polar surface area, lipophilicity, shape, molecular weight, reactivity, pKa, etc) can affect biochemical properties such as phase I and II metabolism, protein and tissue binding affinity, uptake or efflux transport and, furthermore, pharmacokinetic properties such as clearance, half-life, bioavailability, drug-drug interactions. ADME/Tox is considered a major hurdle in drug discovery today. Poor ADME/Tox properties are some of the leading causes of drug attrition rate, as animal studies are costly, lengthier and sometimes these studies are immaterial in humans. In this study, the integration of data between physicochemical properties and ADME/Tox properties will be presented. Especially in early stage of new drug discovery, high throughput screenings of ADME/Tox based on physicochemical properties can be applied for lowering cost and accelerating screening speed.