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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Structural size, shape, H-bonding are important 2. Pharm II — Sem. Hence alkylsulphonamido derivative of phenylepherine was found to retain activity.

Retrieved 15 Jan Silicon Isosteres in Drug Discovery”. You do not have the permission to view this presentation.

Bioisostere – Wikipedia

Conclusion References 2 PowerPoint Presentation: Bioisosterism allows modification of physicochemical parameters: In medicinal chemistrybioisosteres are chemical substituents or groups with similar physical or chemical properties which produce broadly similar biological properties to another chemical compound.

Amrutkar Department of Pharmaceutical Chemistry M.

Size, shape, electronic distribution, lipid solubility, water solubility, p K achemical reactivity, hydrogen bonding Effects of bioisosteric replacement: Method of Lead discovery. Retrieved from ” https: 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.

Isosterism and bioisosterism in drug design.

Isosteric Replacement of Si for C: The OH group is replaced by other bioiisosterism having ability to undergo H-bonding. To overcome this problem, replacement of carboxylic acid with bioisostere which has similar physicochemical properties.


For fine tune of biological activity in order to- -Minimize toxicity -Modify the activity -Alter metabolism -Maximize bioavailability 7. 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 Isoserism acidic proton.

Isosterism and bioisosterism in drug design.

Bivalent atom or groups. The main use of this term and its techniques are related to pharmaceutical sciences. Drug discovery, Design and modification. WordPress Embed Drig Embed. Promising Starting Points for Drug Design”. By using this site, you agree to the Terms of Use and Privacy Policy. 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 on the molecule, resulting in better pharmacokinetic properties.

In drug design[1] the purpose isoserism exchanging one bioisostere for another is to enhance the desired biological or physical properties of a compound without hioisosterism significant changes in chemical structure.


Go to Application Have a question? 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 unaffected. It involves the study of effects of biologically active compounds on the basis of molecular structures or its physico-chemical properties.

Alpha tocopherol —reduce cardiac damage due to myocardial infraction. Silafluofen is an organosilicon analogue of pyrethroid insecticidewherein a carbon center has been replaced by isosteric silicon.

Bioisosteres for polar group: For fine tune of biological activity in order buoisosterism -Minimize toxicity -Modify the activity -Alter metabolism -Maximize bioavailability 7 PowerPoint Presentation: Burger define Bioisosteres as substituent’s or groups that have similar chemical and physical properties and which produce broadly similar biological desigj i es.

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Univalent atoms and groups. Why Lead Modification is Necessary?: Isosteric replacement of S for X: Bioisostere to increase absorption: Replacement of Methyl by Chlorine: Wiley-VCH,p.

Bioisostere increase target interaction and selectivity: Bioisosteres of some patented compounds can be discovered automatically and used to circumvent Markush structure patent claims. Introduction to Lead compound.

All lily of the valley flower 13 Why Bioisosterism? By modifying certain substituents, the pharmacological activity of the chalcone and its toxicity are also modified. Whereas classical bioisosteres commonly isosteriism much of the same structural properties, nonclassical bioisosteres are much more dependent on the specific binding eesign 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 biolsosterism go far beyond a simple atom-for-atom switch.

Classical bioisosterism was originally formulated by James Moir and refined by Irving Langmuir [2] as a response to the observation that different atoms with the same valence electron structure had similar biological properties. Drug act as a Antihistamine. Hydroxy group- -OH d.

Isosteric replacement of N for X: 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.