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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All lily of the valley flower However, with a blocked pathway for metabolism, the drug candidate may have a longer half-life.

Isosterism and bioisosterism in drug design.

Isosteric Replacement of Si for C: Wiley-VCH,p. Views Read Edit View history.

Upload from Desktop Single File Upload. Hence alkylsulphonamido derivative of phenylepherine was found to retain activity. Bioisosterism is used to reduce toxicity, change bioavailabilityor modify the activity of the lead compound, and may alter the metabolism of the lead. Automatically changes to Flash or non-Flash embed. The presentation is successfully added In Your Favorites.

ane Non-classical bioisosteres may differ in a multitude of ways from classical bioisosteres, but retain the focus on providing similar sterics and electronic profile to the original functional group. For example, the replacement of a hydrogen atom with a fluorine atom at a site of metabolic oxidation in a drug candidate may prevent such metabolism from taking place.

Retrieved from ” https: Drug act as a Antihistamine. Isosteric replacement of S for X: Bioisostere to increase absorption: Optimization of Lead -Identification of the active part. Bioisosteres of some patented compounds can be discovered automatically and used to circumvent Markush structure patent claims. In medicinal chemistrybioisosteres are chemical substituents or groups with similar physical or chemical properties which produce broadly similar biological properties to another chemical compound.


Another example is aromatic rings, a phenyl -C 6 H 5 ring can often be replaced by a different aromatic ring such as thiophene or naphthalene which may improve efficacy, change specificity of binding, or reduce metabolically labile sites isostwrism the molecule, resulting in better pharmacokinetic properties.

Bioisostere – Wikipedia

In order to view it, please contact the author of the presentation. Why Lead Modification is Necessary?: Isosreric replacement involving cylic vs noncylic analog: Conclusion References 2 PowerPoint Presentation: Because the fluorine atom is similar in size to the hydrogen atom the overall topology of the molecule is not significantly affected, leaving the desired biological activity bioisosteeism.

Introduction to Lead compound. It involves the study of effects of biologically active compounds on the basis of molecular structures or its physico-chemical properties.

For fine tune of biological activity in order to- -Minimize toxicity -Modify the activity -Alter metabolism -Maximize bioavailability 7 PowerPoint Presentation: Bioisosterism allows modification of physicochemical parameters: All lily of the valley flower 13 Why Bioisosterism?

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. Desgin 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.

By modifying certain substituents, the pharmacological activity of the chalcone and its toxicity are also modified.


Replacement of Methyl by Chlorine: Whereas classical bioisosteres commonly conserve much of the same structural properties, nonclassical bioisosteres are much more dependent on isoaterism 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.

Catechol- 16 PowerPoint Presentation: 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 Bioisostere to increase absorption: The OH group is replaced by other group having ability to undergo H-bonding. It has been proposed that key force field features, desiggn is the pharmacophorebe patented instead.

Pharmacokinetics lipophilicity, hydrophilicity, p K aH-bonding are important 17 Bioisosterism allows modification of physicochemical parameters: By using this site, you agree to the Terms of Use and Privacy Policy.


Retrieved 15 Jan Method of Lead discovery. Bioisosteres for polar group: Bioisosteres in Medicinal Chemistry. Promising Starting Points for Drug Design”. Silicon Isosteres in Drug Discovery”. Trivalent atom and groups. WordPress Embed Customize Crug.

Bioisostere increase target interaction and selectivity: Amrutkar Department of Pharmaceutical Chemistry M. Application of Bioisosterism in Drug design. Pharmacokinetics lipophilicity, hydrophilicity, p K aH-bonding are important From Wikipedia, the free encyclopedia. Go to Application Have a question? Pharm II — Sem.