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 Bioisostere increase target interaction and selectivity: Drug Discovery, Design and Development: Bioisosterism is used to reduce toxicity, change bioavailabilityor modify the activity of the lead compound, and may alter the metabolism of the lead. The main use of this term and its techniques are related to pharmaceutical sciences.


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. 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. Isosteric replacement of N for X: Replacement of Methyl by Chlorine: Trivalent atom and groups.

Bivalent atom or groups. Structural size, shape, H-bonding are important 2. Alferrd Burger Bioisosteric Replacement. Pharmacokinetics lipophilicity, hydrophilicity, p K aH-bonding are important 17 Bioisosterism allows modification of physicochemical parameters: Alpha tocopherol —reduce cardiac damage due to myocardial infraction. WordPress Embed Customize Embed. You do not have the permission to view this presentation. Bioisosteres for polar group: 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.


Pharm II — Sem. It has been proposed that key force field features, that is the pharmacophorebe patented instead. 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.


In medicinal chemistrybioisosteres are chemical substituents or groups with similar physical or chemical properties which produce broadly similar biological properties to another chemical compound. To overcome this problem, replacement of carboxylic acid with bioisostere which has similar physicochemical properties.

Burger define Bioisosteres as substituent’s or groups that have similar chemical and physical properties biooisosterism which produce broadly bioisosterim biological propert i es. Retrieved from ” https: 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: Bioisosteres in Medicinal Chemistry.

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.


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Dsign of Lead discovery. Bioisosterism allows modification of physicochemical parameters: Univalent atoms and groups. 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. Drug act as a Antihistamine. All lily of the valley flower 13 Why Bioisosterism? Introduction to Lead compound.

Lead discovery- Random Screening. Isosteric replacement of S for X: 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. Amrutkar Department of Pharmaceutical Chemistry M. Conclusion References 2 PowerPoint Presentation: Promising Starting Points for Drug Design”.

This page was last edited on 31 Octoberat Go to Application Have a question? Another example are chalcones bioisosteres. By modifying certain substituents, the pharmacological activity of the chalcone and its toxicity are also modified.

Isosterism and bioisosterism in drug design.

In drug design[1] 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. Optimization of Lead -Identification isostersim the active part. Drug discovery, Design and modification. Isosreric replacement involving cylic vs noncylic analog:

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