ABSTRACT: Quantitative structure-activity relationship (QSAR) study on the piperidone-grafted mono- and bis-spirooxindole-hexahydropyrrolizines as potent butyrylcholinestrase (BuChE) inhibitors were carried out using statistical methods, molecular dynamics and molecular docking simulation. QSAR methodologies, including classification and regression tree (CART), multiple linear regression (MLR),...

The genus Sarcococca is widely distributed in South-East Asia and it comprises 14 species. The genus is traditionally used for gastrointestinal ulcers, infections, pain and in rheumatic fevers. Recently, our group has derived a comprehensive SAR relationship picture for a new series of natural cholinesterase inhibitors isolated from Sarcococca saligna (syn. S. pruniformis, Buxaceae). The fracti...

Design of selective cyclooxygenase-2 (COX-2) inhibitors is still a challenging task because of active site similarities between COX isoenzymes. To help with this issue, we tried to generate a 3D-QSAR (3 dimensional quantitative structure activity relationship) model that might reflect the essential features of COX-2 active sites. Compounds in a series of resveratrol derivatives inhibitors with ...

Introduction Thyroid cancer is a malignant disease with poor prognosis. The PI3K/Akt/mTOR and Cyclin-Dependent Kinase 4 (CDK4) pathways are vital regulators of tumor cell proliferation and survival. Therefore the present study was designed to use dual inhibition of such pathways to kill thyroid cancer cells. Methods and materials The effects of each inhibitors on human ATC and...

Introduction Thyroid cancer is a malignant disease with poor prognosis. The PI3K/Akt/mTOR and Cyclin-Dependent Kinase 4 (CDK4) pathways are vital regulators of tumor cell proliferation and survival. Therefore the present study was designed to use dual inhibition of such pathways to kill thyroid cancer cells. Methods and materials The effects of each inhibitors on human ATC and...

During programmed cell death (PCD) apoptosis is controlled by many factors such as proteases. With no specific protease (s) known during PCD in the developing nervous system so far, we sought to determine if any specific protease (s) is involved in this process and therefore used different protease inhibitors during PCD (from embryonic day 6 to 10) in chick embryos. Among the inhibitors commerc...

Interactions of 3,3',4,4'-tetrahydroxybiphenyl (BPT) and three isomeric 3,3",4,4"-tetrahydroxyterphenyls (OTT, MTT, PTT) with Alzheimer’s amyloid-β peptide (Aβ) were studied by molecular dynamics simulation and molecular docking. Structural parameters such as Root-mean-square derivations (RMSD), radial distribution function (RDF), helix percentage and other physical parameters were obtained. Th...

To assess the effect of micro-organisms on the reduction of wax appearance temperature (WAT) of waxy crude oil, some appropriate strains were obtained from contaminated samples exposed to hydrocarbon compounds for a long time. By conducting some screening tests, four strains were chosen and aerated in a bioreactor; they were then grown in some hydrocarbon environments in order to produce biolog...

Background: Factor VIII administration to hemophilia A patients results in an immune response (inhibitor formation) which significantly complicates the therapy. The present study was performed to determine the prevalence of inhibitor development in hemophilia A patients receiving recombinant factor VIII therapy. Materials and Methods: This was an observational descriptive study. Clotting fac...

Background and objectives: Tyrosinase is a copper containing oxidase which is crucial for controlling the production of melanin in creatures such as bacteria, fungi, plants and mammals. It is involved in the first two steps of melanin biosynthesis and leads to pigmentation and different types of cancer such as melanoma. Also, it is responsible for browning of fruits and vegetab...