May 7, Application of Isosteres in Drug Design Oxetanes in Drug Discovery 2) exchangeable group isosterism in which the properties of discrete. Nov 10, strategy for drug design. APPLICATION OF CLASSICAL BIOISOSTERISM IN DRUG DESIGN. Isosterism can also contribute to the productive application in the design and optimization of catalysts on organic chemistry. In every scientific undertaking that is to break new ground, one has to have a goal, a working hypothesis, or a leading idea or fact. This will encourage research.
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Whereas classical bioisosteres commonly conserve much of the same structural properties, nonclassical bioisosteres are much more dependent on the specific binding needs of the ligand in question and may substitute a linear functional group for a cyclic moiety, an alkyl group for a complex heteroatom moiety, or other changes that go far beyond a simple atom-for-atom switch.
Bioisosterism allows modification of physicochemical parameters: Pharmacokinetics lipophilicity, hydrophilicity, p K aH-bonding are important Non classical bioisosteres Do not have same number of atom and do not fit the steric and electronic rules of classical isosteres, but they produce similar biological activity Examples- a.
In drug design the purpose of exchanging one bioisostere for another is to enhance the desired biological or physical properties of a compound without making significant changes in chemical structure. Alferrd Burger Bioisosteric Replacement.
Silafluofen is an organosilicon analogue of pyrethroid insecticidewherein a carbon center has been replaced by isosteric desugn. However, with a blocked pathway for metabolism, the drug candidate may have a longer half-life.
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Bioisostere – Wikipedia
WordPress Bbioisosterism Customize Embed. Hydroxy group- -OH d. Tetrazole anaion is 10 times more lipophilic than a carboxylic acid and drug absorption is enhanced as a result 23 Carboxylic acid 5-Substiuted tetrazole H- acidic proton. Wiley-VCH,p. Isosteric replacement of N for X: Retrieved 15 Jan Automatically changes to Flash or non-Flash embed. Bivalent atom or groups. Replacement of Methyl by Chlorine: From Wikipedia, the free encyclopedia. To overcome this problem, replacement of carboxylic acid with bioisostere which has similar physicochemical properties.
Method of Lead discovery. Trivalent atom and groups. bioisostrrism
Drug discovery, Design and modification. Bioisosterism is used to reduce toxicity, change bioavailabilityor modify the activity of the lead compound, and may alter the metabolism of the lead.
Hence alkylsulphonamido derivative of phenylepherine was found to retain activity. For fine tune of biological activity in order to- -Minimize toxicity -Modify the activity -Alter metabolism -Maximize bioavailability 7 PowerPoint Presentation: Promising Starting Points for Drug Design”.
Catechol- 16 PowerPoint Presentation: The lead is prototype compound that has the desired biological or pharmacological activity but may have many undesirable characterisics,like high toxicity, other biological activity, insolubility or metabolism problems.
Optimization of Lead -Identification of desgn active part.
Isosterism and bioisosterism in drug design.
In order to view it, please contact the author of the presentation. Burger define Bioisosteres as substituent’s or groups that have similar chemical and physical properties and which produce broadly similar biological propert i es. Conclusion References 2 PowerPoint Presentation: By modifying certain substituents, the pharmacological activity of the chalcone and its toxicity are also modified. All lily of the valley flower 13 Why Bioisosterism? Views Read Edit View history. Alpha tocopherol —reduce cardiac damage due to myocardial infraction.
Lead discovery- Random Screening. Structural size, shape, H-bonding are important 2.