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Posted on March 21, by mcb An excellent J. The author gives a brief introduction to the concept of biosisosterism classical and non-classical but concentrates on pulling together numerous recent examples which together illustrate the use of bioisosteres to address a diverse range of issues that are commonly encountered in the process of drug discovery.
A really nice paper and highly recommended reading material. Isosteres of Hydrogen: Deuterium as an isostere of hydrogen. Deuterium substitution to modulate metabolism. Deuterium substitution to modulate metabolism and toxicity. Deuterium to slow epimerization.
Fluorine as an isostere of hydrogen. Fluorine for hydrogen exchange to modulate metabolism. Deploying fluorine to modulate basicity in KSP inhibitors. Substitution of hydrogen by fluorine as a strategy for influencing conformation. Silicon as an isostere of carbon. Silicon as a carbon isostere in biogenic amine reuptake inhibitors. Silicon as a carbon isostere in haloperidol. Silanediols as HIV-1 protease inhibitors. Silanediols in ACE inhibitors. Cyclopropyl rings as alkyl isosteres.
Cyclopropyl in T-Type calcium channel antagonists. Cyclopropyl in CRF-1 antagonists. Oxetanes as mimetics of alkyl moieties. CF3 as a substitute for methyl in a tert-butyl moiety. CF2 as an isostere of C CH3 2. N for CH in phenyl rings in calcium sensing receptor antagonists. N for C substitution in dihydropyridine derivatives. Biphenyl and Phenyl Mimetics: Biphenyl mimetics in factor Xa inhibitors. Phenyl mimetics in glutamate antagonists.
Phenyl mimetics in oxytocin antagonists. Phenol, Alcohol, and Thiol Isosteres: Phenol and catechol isosteres. Alcohol and thiol mimetics: Sulfoximine moiety as an alcohol isostere. Application of RCHF2 as an alcohol isostere in lysophosphatidic acid. Hydroxamic acids in carbonic anhydrase II inhibitors. Acylsulfonamide in EP3 antagonists. Squaric acid derivatives as CO2H mimetics.
Aminosquarate derivatives as amino acid mimetics. Heterocycles as amino acid mimetics. Isosteres of Heterocycles: Avoiding quinonediimine formation in bradykinin B1 antagonists. Isosterism between heterocycles in drug design. Heterocycles as hydrogen bond acceptors. H-bonding capacity of common functional groups.
Heterocycles and H-bonds: Filling the gaps. Heterocycle substituents and H-bonding. Heteroatoms as H-bond acceptors. Isosterism between heterocycles in non-prostanoid PGI2 mimetics. Role of pyrimidine nitrogen atoms in cathepsin S inhibitors. Heterocycles and metal coordination. Evolution of GSK3 inhibitors. Janus kinase 2 JAK2 inhibitors. Electron demand of heterocycles and applications. Amide and ester isosteres. Trifluoroethylamines as amide isosteres in cathepsin K inhibitors. Amide isosteres in adenosine 2B antagonists.
Urea isosteres: Urea isosteres in histamine antagonists. Urea-type isosteres in KATP openers. Urea isosteres in CXCR2 antagonists. Additional squaric acid urea isosteres. Guanidine and Amidine Isosteres: Arginine isosteres in factor Xa inhibitors. Phosphate and Pyrophosphate Isosteres:.
Isosterism and bioisosterism in drug design.
Swapnil R. Bhalerao M. Pharm II — Sem. Guided by- Prof. Amrutkar Department of Pharmaceutical Chemistry M. Drug discovery, Design and modification.
ISOSTERISM AND BIOISOSTERISM IN DRUG DESIGN PDF
Dut 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. 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. Bivalent atom or groups. Structural size, shape, H-bonding are important 2.
Isosterism and bioisosterism in drug design
Bioisosterism: A Useful Strategy for Molecular Modification and Drug Design