2022年12月19日 · To evaluate the AED tool in bioisosterism, three bioisosteric groups were considered: carboxylic acid, furan, and sulfonamide. The pairs that will be compared are the bioisosteres carboxylic acid and sulfonamide, the potential bioisosteres carboxylic acid and furan, and the non-bioisosteres furan and sulfonamide.

2000年1月1日 · Furan is frequently used as a bioisostere of a benzene ring in medicinal chemistry. Furan is a n-electron-excessive heteroarene. Electrophilic substitution and metalation take place regioselectively at C(2) due to the electronegativity of the oxygen atom.

2021年1月30日 · Bioisosteres - A bioisostere is a molecule resulting from the exchange of an atom or of a group of atoms with an alternative, broadly similar, atom or group of atoms. The objective of a bioisosteric replacement is to create a new molecule with similar biological properties to the parent compound.

The role of bioisosteres to affect intrinsic potency and selectivity, influence conformation, solve problems associated with drug developability, including P-glycoprotein recognition, modulating basicity, solubility, and lipophilicity, and to address issues associated with metabolism and toxicity is used as the underlying theme to capture a ...

2023年1月28日 · A variety of 5-membered heteroaromatic rings have been used as phenyl bioisosteres including Thiophene, furan, thiazoles and pyrazoles. A detailed summary of a matched pair analysis of phenyl ring replacements has been published Bioisosteres of the Phenyl Ring: Recent Strategic Applications in Lead Optimization and Drug Design, DOI .

2023年1月15日 · Systematic SAR investigation of furan-2-carboxylic acid derivatives. 10v exhibited best anti-gluconeogenesis potency in vitro among all derivatives. 10v showed superb pyruvate tolerance and oral bioavailability in vivo. 10v displayed improved effect on ameliorating hyperglycemia in ob/ob mice.

2024年12月23日 · Here we describe an expeditous protocol for the direct assembly of furan-substituted gem-difluoroalkenes via PFTB-promoted cross-coupling of ene-yne-ketones and difluorocarbene. In this multi-step tandem reaction process, the furan ring and the gem-difluorovinyl group are constructed simultaneously in an efficient manner. These products can ...

2022年12月5日 · Thiophenones and furanthiones are bioisosteres of butenolides that have attracted interest in the development of novel pharmaceuticals. We designed a library of butenolide bioisosteres with sulfur incorporated into the molecule for the structure-activity relationship studies associated with their inhibitory activity towards the AChE enzyme.

2016年11月10日 · Herein, we assayed 158 new analogues selected from a pharmacophore model, and identified 12 new GPR139 agonists, containing previously untested bioisosteres. Furthermore, we present the first...

In this multi-step tandem reaction process, the furan ring and the gem-difluorovinyl group are constructed simultaneously in an efficient manner. These products can serve as bioisosteres of the α-carbonyl furan core, which is an important scaffold present …