several nonpeptide small molecules were designed as potential inhibitors of hiv protease and their structures were constructed by computer-aided molecular modeling and docked iwo the active site of hiv protease. models of the complexes of inhibitors and the hiv protease were refined using nonbonded and h-bonding terms. the refined energy of selected complexes showed that the designed inhibitors...

APOBEC3G and APOBEC3F are cytidine deaminase with duplicative cytidine deaminase motifs that restrict HIV-1 replication by catalyzing C-to-U transitions on nascent viral cDNA. Despite 60% protein sequence similarity, APOBEC3F and APOBEC3G have a different target consensus sequence for editing, and importantly, APOBEC3G has 10-fold higher anti-HIV activity than APOBEC3F. Thus, APOBEC3F and APOBE...

iron, cobalt and copper are metals, which appear together in many real samples, both natural and artificial. recently a classical univariate micellar colorimetric method has been developed for determination of these metal ions. the organized molecular assemblies such as micelles are used in spectroscopic measurements due to their possible effects on the systems of interest. the ability of micel...

achillea tenuifolia lam. (asteraceae) afforded a dichloromethane fraction from which three known compounds β-sitosterol (compound1), 5-hydroxy, 4',6,7– trimethoxy flavone (salvigenin compound 2), and methyl-gallate (compound 3) were isolated for the first time. the structure of isolated compounds was elucidated by different spectroscopic methods. applying the molar-ratio method, the comple...

a novel pyridine-2,6-dicarboxylic acid mixed ligands complex of formula [co(no3)2].6h2o has been obtained by the reaction of pyridine-2,6-dicarboxylic acid with cobalt nitrate and 1,10-phenanthroline on heating in water. the structures of [co(pydc)(phen)(h2o)](pydch2).4h2o receptors, and their complexes were optimized using dft method at the b3lyp/3-21g** level. the highest occupied molecular o...

This review provides a thorough overview of composites with molecular catalysts (polyoxometalates, or organometallic coordination complexes) immobilised into MOFs via non-covalent interactions.

The complex [(PhCH2NC)AuCl], 1, was prepared by the reaction of [(Me2S)AuCl], A, with an equimolar amount of benzyl isocyanide (PhCH2NC) ligand. Through a salt metathesis reaction, the chloride ligand in 1 was replaced by potassium benzothiazole-2-thiolate (Kbt) and potassium benzoimidazole-2-thiolate (Kbi) to a...