Introduction: Interferon beta is one of the members of type I interferons. Creating R27T and V101F mutations is one of the important researches performed to improve function, decrease immunogenicity, increase expression and increase half-life of interferon beta. In this study, the effects of R27T and V101F mutations on interferon beta binding to interferon receptors were studied by molecular do...

Introduction: Interferon beta is one of the members of type I interferons. Creating R27T and V101F mutations is one of the important researches performed to improve function, decrease immunogenicity, increase expression and increase half-life of interferon beta. In this study, the effects of R27T and V101F mutations on interferon beta binding to interferon receptors were studied by molecular do...

A set of Xanthohumol derivatives were selected and molecular docking studies of these ‎compounds on thioredoxin reductase were conducted. Based on new structural patterns using in ‎silico-screening study, new potent lead compounds were designed. The results due to validated ‎docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, ‎Val44 and Gly132 are the main a...

objective(s): recently we reported that the soybean 15-lipoxygenase (slo) inhibitory activity of pyrimido[4,5-b][l,4]benzothiazines largely depends on the orientation of sulfur atom of thiazine core towards feiii-oh in the active site pocket of the enzyme with subsequent oxidation of sulfur to sulfoxide. in this paper the results of a comparative study on the slo inhibitory activities of the me...

materials and methods twelve natural compounds jaceosidin, withaferin a, curcumin, epigallocatechin-3-gallate (egcg), artemisinin, gingerol, ursolic acid, ferulic acid, berberin, silymarin, resveratrol, and indol-3-carbinol were docked against e6 and e7 oncoproteins of high-risk hpv types 16 and 18 using a protein-ligand docking software called autodock4.2. results out of these 12 natural compo...

Background and objectives: More than 40 different alkaloids have been obtained from opium the most important of which are morphine, codeine, papaverine, noscapine and tabaine. Opioid alkaloids produce analgesia by affecting areas of the brain that have peptides with pharmacological pseudo-opioid properties. These alkaloids show important effects on some intracellular peptides l...

monoamine oxidase (ec, 1.4.3.4) or amine oxidoreductase catalyzes the oxidative deamination of biogenic amines. abnormal action of the monoamine oxidase b has been associated with neurological dysfunctions including parkinson´s disorder. monoamine oxidase b inhibitors divulged that these agents were effective in the therapeutic management of parkinson's disease. understanding the interaction of...

Flibanserin is a novel antagonist small molecule to treat the hypoactive sexual desire disorder (HSDD) in the premenopausal women. The present article is related to the structural and electronic properties study and docking analysis of the title compound with 5-hydroxytryptamine 2A (5-HT2A) serotonin receptor. To access these aims, the molecular structure of the said compound was optimized usin...