in this work, the optimization calculations were carried out on quetiapine hemifumarat, 4, and its analogues, 1-5. these calculations were carried out using the b3lyp/6-31g(d) level of theory. the dft calculations clarified a boat structure for dibenzothiazepine moiety of the molecule which piperazine moiety has a chair conformation. thermal energies (e), enthalpies (h), and free energies (g) o...

Background: Resistance to chloroquine (CQ) in Plasmodium falciparum malaria has become a major health concern of the developing countries.This resistance has prompted a re-examination of the pharmacology of alternative antimalarials that may be effective against resistant strains. Amodiaquine (AQ) is a 4-aminoquinoline antimalarial which is effective against many chloroquine-resistant strains o...

an intramolecular palladium catalysed carbometalation followed by anion capture achieves construction of a model comprised of the a ring of vitamin d oxygen analogues.

Retinoids are synthetic and natural analogues of vitamin A that have various effects on cellular differentiation, cellular proliferation, immune system, and embryonic development. The present study reviews the history of systemic retinoids in medicine, the structure of syn

Nucleotide binding site leucine-rich repeats (NBS-LRR) accounting for the main disease resistance proteins play an important role in plant defense against pathogen attack. The current study aimed to identify new NBS-LRR gene members in native types of cucurbit species in Iran. Accordingly, DNAs of melon, cucumber and cantaloupe native types to Iran were identified using three primer pairs. PCR ...

We construct combinatorial (involutory) Gelfand models for the following diagram algebras in the case when they are semi-simple: Brauer algebras, their partial analogues, walled Brauer algebras, their partial analogues, Temperley-Lieb algebras, their partial analogues, walled Temperley-Lieb algebras, their partial analogues, partition algebras and their Temperley-Lieb analogues.

In this project, new derivatives of fluorescein were synthesized using the reaction of maleic anhydride and saccharin with phenol derivatives in the presence of ZnCl2, and their structures were elucidated by UV, IR, and NMR spectroscopy. Fluorimetry studies showed that, the synthesized compounds can be utilized as fluorescent agents, and their efficiencies were dependent on pH of solution. Acco...

There have been intensive efforts to find small molecule antagonists for bacterial quorum sensing (QS) mediated by the "universal" QS autoinducer, AI-2. Previous work has shown that linear and branched acyl analogues of AI-2 can selectively modulate AI-2 signaling in bacteria. Additionally, LsrK-dependent phosphorylated analogues have been implicated as the active inhibitory form against AI-2 s...

Current researches have showed that N3, N5-diaryl-2, 6-dimethyl -1, 4-dihydropyrine-3, 5- dicarboxamide analogues demonstrate notable anti-tubercular activity. In this study, Hantzsch condensation was used to design and synthesize new analogues of dihydropyridine (DHP). Different diary carboxamides were inserted at positions 3 and 5 of the DHP ring. 4(5)-chloro-2-ethyl-5(4)-imidazolyl moiety wa...