نتایج جستجو برای: docking analysis

تعداد نتایج: 2840566  

Journal: :research in pharmaceutical sciences 0
sedighe sadeghian-rizi amirhossein sakhteman farshid hassanzadeh

in the current study, both ligand-based molecular docking and receptor-based quantitative structure activity relationships (qsar) modeling were performed on 35 diaryl urea derivative inhibitors of v600e b-raf. in this qsar study, a linear (multiple linear regressions) and a nonlinear (partial least squares least squares support vector machine (pls-ls-svm)) were used and compared. the predictive...

2011
Anil M. Manikrao Niranjan S. Mahajan Rahul D. Jawarkar Devidas T. Mahajan Vijay H. Masand

Docking studies of few C-3 Substituted Azapteridines which act as Hepatitis C Virus RNADependent RNA Polymerase inhibitor was performed by using MOE 2009. The docking studies reveal that majority of the Azapteridine derivatives interacted with Hepatitis C Virus RNADependent RNA Polymerase through hydrogen bonding as well as hydrophobic interactions. The present analysis is useful in future drug...

Journal: :Journal of Computer-Aided Molecular Design 2011

اسدزاده, عزیزه, حیدریان, فاطمه, رهنما, سعیده,

Background: Inhibitors of α-glucosidase by interfering with digestion of carbohydrates play a role in controlling diabetes. Thymus vulgaris is an herb belonging to the mint family (lamiaceae). The essence of this plant contain the phenols such as thymol and carvacrol, cymene, linalool, pinene. The aim of this study was to investigate the inhibitory effect of the constituents of the thymus vulga...

Journal: :Current medicinal chemistry 2013
S F Sousa A J M Ribeiro J T S Coimbra R P P Neves S A Martins N S H N Moorthy P A Fernandes M J Ramos

Protein-ligand docking is currently an important tool in drug discovery efforts and an active area of research that has been the subject of important developments over the last decade. These are well portrayed in the rising number of available protein-ligand docking software programs, increasing level of sophistication of its most recent applications, and growing number of users. While starting...

Journal: :Molecular cell 2005
Attila Reményi Matthew C Good Roby P Bhattacharyya Wendell A Lim

Cells use a network of mitogen-activated protein kinases (MAPKs) to coordinate responses to diverse extracellular signals. Here, we examine the role of docking interactions in determining connectivity of the yeast MAPKs Fus3 and Kss1. These closely related kinases are activated by the common upstream MAPK kinase Ste7 yet generate distinct output responses, mating and filamentous growth, respect...

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