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Hybrid descriptors-conjoint indices: a case study on imidazole-thiourea containing glutaminyl cyclase inhibitors for design of novel anti-Alzheimer's candidates
SAR QSAR Environ Res. 2023 May;34(5):361-381. doi: 10.1080/1062936X.2023.2212175.ABSTRACTClinical studies show that the pyroglutamate alteration of amyloid-β (Aβ) catalysed by metalloenzyme glutaminyl cyclase results in the formation of the more neurotoxic pGlu-Aβ, and inhibition of glutaminyl cyclase can bring down the load of pGlu-Aβ in the brain and reduces Alzheimer's disease pathology with improvement in cognition. The present study involves the identification of activity-modulating structural features of 188 inhibitors of glutaminyl cyclase under the influence of index of ideality of correlation (IIC) and correla...
Source: SAR and QSAR in Environmental Research - June 1, 2023 Category: Environmental Health Authors: K Bagri A Kapoor P Kumar A Kumar Source Type: research

Functionally substituted 2-aminothiazoles as antimicrobial agents: in vitro and in silico evaluation
SAR QSAR Environ Res. 2023 May;34(5):395-414. doi: 10.1080/1062936X.2023.2214869. Epub 2023 May 30.ABSTRACTNine new functionally substituted derivatives of 2-aminothiazole were evaluated for antimicrobial activity using microdilution method against the panel of eight bacterial and eight fungal strains. Evaluation of antibacterial activity revealed that compounds are potent antibacterial agents, more active than ampicillin and streptomycin except of some compounds against B. cereus and En. cloacae. The best compound appeared to be compound 8. The most sensitive bacteria appeared to be En. cloacae, while L. monocytogenes was...
Source: SAR and QSAR in Environmental Research - May 30, 2023 Category: Environmental Health Authors: A Petrou V Kartsev A Geronikaki J Glamo člija A Ciric M Sokovic Source Type: research

Functionally substituted 2-aminothiazoles as antimicrobial agents: in vitro and in silico evaluation
SAR QSAR Environ Res. 2023 May 30:1-20. doi: 10.1080/1062936X.2023.2214869. Online ahead of print.ABSTRACTNine new functionally substituted derivatives of 2-aminothiazole were evaluated for antimicrobial activity using microdilution method against the panel of eight bacterial and eight fungal strains. Evaluation of antibacterial activity revealed that compounds are potent antibacterial agents, more active than ampicillin and streptomycin except of some compounds against B. cereus and En. cloacae. The best compound appeared to be compound 8. The most sensitive bacteria appeared to be En. cloacae, while L. monocytogenes was ...
Source: SAR and QSAR in Environmental Research - May 30, 2023 Category: Environmental Health Authors: A Petrou V Kartsev A Geronikaki J Glamo člija A Ciric M Sokovic Source Type: research