Chemical Library Management in Drug Discovery - KIAS

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Compound Life Cycle in DMSO• Compound disappears from DMSO solution• What is the explanation?• Chemical integrity in DMSO• keep cold and frozen• avoid oxygen• keep dry• Compound solubility in DMSO• cold and / or frozen is the worst choice possible• avoid freeze thaw cycles
Water Uptake of DMSO• Water absorbs into DMSO Quickly!• 22 ºC, 75% RH• 384-well plate, 30 µL• DMSO/water mixtures have nonideal behavior• Freezing point DMSO is 18 ºC, -73 ºCat 33% w/w water/DMSO• Solubility worse than ideal withadded waterMutz et al, “ DMSO Hydration Monitoring inMicroplates with Ultrasound”, poster ELRIGApril 2005• Keep storage and liquid handlingatmosphere dry!• Low %RH• Low temp• 50% RH @ -20 ºC = 1.6% RH @25 ºC (0.32 g/kg)H O HOSH O H
Page 1: Chemical LibraryManagementin Drug D
Page 4 and 5: 대량 고효율 신약개발 전
Page 6 and 7: 국가 화합물라이브러리 관
Page 8 and 9: Price of Druggable Compounds• Pri
Page 12 and 13: DMSO - water phase diagramDMSO cont
Page 14 and 15: Automation
Page 16 and 17: Automation
Page 18 and 19: 한국화합물은행 설립
Page 20 and 21: 업무 추진체계산학연
Page 22 and 23: 2D 바코드 및 Well별 관리시
Page 24 and 25: 화합물정보관리 (CIMS) : 2003
Page 26 and 27: 기탁대상화합물• 대상 화
Page 28 and 29: 화합물관리 - 약물성기본
Page 30 and 31: 골격별 화합물 분류 (PharmaC
Page 32 and 33: Fragment 라이브러리라이브
Page 34 and 35: 약물성 연구 현황• 약물
Page 36 and 37: 약물성 분석 (Validation)ExpSol
Page 38 and 39: 약효시험 활용현황• 매년
Page 40 and 41: 약효시험 활용 : 권리분배
Page 42 and 43: Virtual ScreeningProteinProteinStrS
Page 44: Docking Study : DPP-4Dock5 Favors H
Page 47 and 48: Docking Study : 40 PhosphatasesPDB

Chemical Library Management in Drug Discovery - KIAS

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