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Article
Virtual screening of some heterocyclic structures toward novel antibacterial agents
Infectious diseases and their treatment are among the most important issues in global health and economy. Moreover, increasing prevalence of antibiotic-resistant pathogenic bacteria necessitates the considera...
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Article
2-Imino 2H-chromene and 2-(phenylimino) 2H-chromene 3-aryl carboxamide derivatives as novel cytotoxic agents: synthesis, biological assay, and molecular docking study
The inhibition of AKR1B10 has been recognized as a potential therapeutic approach to the treatment of various types of cancers. A novel series of compounds with imino-2H-chromen and phenylimino-2H-chromen scaffol...
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Article
Inhibition of Alzheimer’s BACE-1 by 2,6-dialkyl-4-chromon-3-yl-1,4-dihydropyridine-3,5-dicarboxylates
Alzheimer’s disease is the most common cause of dementia in the elderly, and no disease-modifying therapy is yet available for this devastating pathology. Deposition of different physicochemical forms of amylo...
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Article
Cytotoxic activity assessment and c-Src tyrosine kinase docking simulation of thieno[2,3-b] pyridine-based derivatives
Thienopyridine derivatives possess various promising biological properties and particularly cytotoxic effect. In vitro cytotoxic activities of some thienopyridine analogous were evaluated by MTT reduction assa...
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Article
Ab initio modeling of a potent isophthalamide-based BACE-1 inhibitor: amino acid decomposition analysis
β-Secretase or β-site amyloid precursor protein cleaving enzyme (BACE-1) is a membrane-associated aspartyl protease that catalyzes the first step in the formation of amyloid β plaques responsible for Alzheimer...
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Article
Synthesis, biological activity and docking study of some new isatin Schiff base derivatives
A set of novel Schiff bases of isatin were synthesized and characterized by reaction of isatin with various aromatic or heterocyclic primary amines. Cytotoxic activities for some of the synthesized compounds w...
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Article
Synthesis and calcium channel antagonist activity of novel 1,4-dihydropyridine derivatives possessing 4-pyrone moieties
New 1,4-dihydropyridine derivatives were synthesized by introducing 4-pyrone ring systems at the 4-position of the dihydropyridine nucleus. These compounds were obtained according to Hantzsch reaction. 4-Pyron...
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Article
Quantitative structure–retention relationship study of analgesic drugs by application of combined data splitting-feature selection strategy and genetic algorithm-partial least square
The combined data splitting feature selection (CDFS) is a new strategy in quantitative structure–property relation (QSPR) analysis, in which the sampling of training set is performed repeatedly to find a subse...
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Article
Synthesis and cytotoxic activity of novel benzopyrano[3,2-c]chromene-6,8-dione derivatives
4-Hydroxycoumarins constitute the structural nucleus of many natural products, drugs, and pesticides. Promising biological properties in new families of synthetic coumarins were recently reported. Therefore, e...