Current Enzyme Inhibition - Volume 12, Issue 2, 2016

C-C chemokine receptor type 2 (CCR2) belongs to large GPCR family and it plays a critical role in cognitive function. Inhibition of CCR2 is important for autoimmune diseases including atherosclerosis, pain, and metabolic diseases. 3D structure of this receptor was not solved yet. In the current study, 3D structure of the CCR2 is predicted using recently solved high resolution crystal structure of C-C chemokine receptor type 5 (CC Read More

Monoamine oxidase-A and B have been studied over a long period as one of the promising drug targets for the treatment of depression and neurodegenerative disorders. Commonly, MAO-A is associated with depression because of its relation with the control of serotonin levels. On the other hand, MAO-B has been associated with Alzheimer’s and Parkinson’s diseases because this enzyme modulates dopamine levels in t Read More

As we are aware of the alarming rate of the tuberculosis multi drug resistant and extensive drug resistance, it necessitates for a novel drug target. In this investigation, we performed pharmacophore assisted virtual screening on analogs of 2-methyl heptyl isonicotinate against GlmU enzyme of Mycobacterium tuberculosis. Recent reports suggested the GlmU enzyme as a key protein in UDPGlcNAc biosynthesis. Inhibition of the e Read More

Background: The activity and role of different extracellular secreted enzymes has been characterized in the pathogenesis of different fungal species. Phytase, a special class of histidine acid phosphatases has recently been specified in some fungal species but not in Candida albicans. The objective of the present study was to elucidate the ability of C. albicans strains from different sources to secrete phytate and its correlati Read More

2-(2-Arylidenehydrazinyl) thiazol-4(5H)-ones having epidermal growth factor receptor (EGFR) inhibitory activity were subjected to quantitative structure activity relationship (QSAR) (2 and 3 dimensional) analysis and pharmacophore study in the present work. The best 2 dimensional (2D) QSAR model had r2 (squared correlation coefficient), q2 (cross validated correlation coefficient) and pred_r2 (predictive correlation coef Read More

Introduction: Synthesis and biological activity of three different dehydroepiandrosteronederivatives which possess a triazole group at C-17 and various substituents at C-3 of the steroidal skeleton are presented. These compounds were designed to inhibit the activity of type 5 17-β hydroxysteroid dehydrogenase (17β-HSD 5) which is present in human prostate. These steroids have been proposed as an alternative fo Read More

Background: The different species of Rhodotorula are living in the environment and considered as normal inhabitants in the human body. In addition, they are found as common contaminants of skin, urine, respiratory and gastrointestinal systems among normal individuals. Out of several species of Rhodotorula, Rhodotorula mucilaginosa, R. glutinis and R. minuta were considered as human pathogens. They are causing inv Read More

HIV protease has been one of the most considered target sites to combat HIV infection and Saquinavir is the forerunner of all therapeutic agents targeting the same. There has always been a quest for new HIV-protease inhibitor for AIDS-treatment. The current study deals with in-silico attempt to develop 3D-QSAR models based on CoMFA and CoMSIA studies, to design and evaluate new saquinavir based chemical entities for th Read More

A new series of 1-methyl-4-phenyl-6-substituted-3,4,6,7-tetrahydro-1H-pyrrolo[3,4- d]pyrimidine-2,5-diones (9a-h) were investigated as potential non-nucleoside anti-HCV, through Renilla luciferase (RL) assay using HuH-7-derived OR6 assay system. The target derivatives 9a-h were synthesized in moderate to good yields through nucleophilic substitution, followed by subsequent cyclocondensation of the 6-bromomet Read More

Antioxidant and enzyme inhibitory effects (against cholinesterase, tyrosinase, α-amylase and α-glucosidase) of ethyl acetate, methanol, and aqueous extracts from Astragalus lagurus (Fabaceae) were investigated with spectrophotometric methods. Antioxidant capacity were evaluated by using different assay including free radical scavenging (DPPH and ABTS), reducing power (FRAP and CUPRAC), phosphomolybdenum, an Read More

Background: Apitherapeutic products contain many valuable bioactive compounds which are responsible for biologically active features such as anti-oxidant, anti-viral, anti-microbial and anti-inflammatory properties. Objective: This study investigated in vitro anti-inflammatory potentials in terms of hyaluronidase inhibition of three different bee products, propolis, pollens and royal jellies. Methods: Water soluble extracts of th Read More

Objective: The main study was to evaluate the anti- inflammatory, anti-oxidant, and the gastro-protective properties of extracts of Stevia rebaudiana. In addition the purpose of the study was to investigate new, natural inhibition of urease and xanthine oxidase enzymes, as well as to find the sugar contents of extracts from the plants. Method: The polyphenolic contents of methanol extracted samples were evaluated i Read More

Objectives: To design novel 3,6-bis(3'- substituted propoxy) and 3,6-bis(5'- substituted pentyloxy)xanthone derivatives targeting Prostaglandin endoperoxide synthase-2 by molecular docking study and to evaluate their COX-2 inhibitory potential. Materials and Method: The protein structure was downloaded from RCSB protein databank and the ligands were prepared using Chemdraw freeware. Discovery Studio version 2.5 w Read More