Transcription of Drug Design: Functional groups / Pharmacological Activity
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Drug Design: Functional groups / Pharmacological Activity
drug Design: Functional groups / Pharmacological ActivityStructure - Mechanism of action (Interaction with target)Structure - Physiochemical properties (Bioavailability etc) Acid / base properties Water solubility Partition coefficient (Crystal structure) StereochemistryADMEA bsorbtion. Distribution, Metabolism, Excretion(ADMET, ADMEtox)Structure - Mechanism of actionNOOOHca. 5 Acetylcholin (Neurotransmittor)NOOH2 NCarbacholinNNHNNMeHOOA cetylcholin AgonistsNicotinePilocarpineProtonated av phys. pH (pH )Acetylcholin AntagonistsNOOOHA tropinOONOHC yclopentolatMeOOHOOOHOMeNHMeNMeMeTubocur arinCNSE ffektor celleReseptorSynapseAcetylkolinNoradrena linDet somatiske nervesystemDet autonome nervesystemCNSCNSDet sympatiskenervesystemDet parasympatiskenervesystemganglionStructu re - Mechanism of actionSAR: Structure Activity RelationshipsAcetylcholine agonists: Small N-quartenary antagonists: Larger N-quartenary (1905)NHNL idocaine/Xylocaine(1946)OAcid labile esterHydrophilicAminogroup(can be protonated)Spacer-Cn-X-X: -CO2- -CONH- -NHCO-Lipophilic(Aryl)Active compound identifiedTarget?
Drug Design: Functional groups / Pharmacological Activity Structure - Mechanism of action (Interaction with target) Structure - Physiochemical properties (Bioavailability etc) • Acid / base properties • Water solubility • Partition coefficient • (Crystal structure) • Stereochemistry ADME Absorbtion. Distribution, Metabolism, Excretion ...
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