نتایج جستجو برای: molecular docking analysis

تعداد نتایج: 3331839  

Journal: :Biopolymers & Cell 2021

Keywords: DHFR-inhibiting activity, pteridine, furo[3,2-g]pteridine, molecular docking, QSAR-analysis

Luciferase enzymes are involved in the bioluminescence reaction (light emission by living organisms). The bioluminescence process is a widespread phenomenon in the Nature. These enzymes are identified in some domains of life, but the luciferases from lampyrid genus are considered of for biological applications. The molecular cloning of a new type of firefly luciferase from Luciola lateralis was...

Wnts are the major ligands responsible for activating Wnt signaling pathway through binding to Frizzled proteins (Fzd) as the receptors. Among these ligands, Wnt2 plays the main role in the tumorigenesis of several human cancers especially colorectal cancer (CRC). Therefore, it can be considered as a potential drug target.The aim of this study was to identify potential drug candidates ...

This paper is designed to examine the binding behavior of Coumarin with bovine -casein (βCN) through fluorescence spectroscopy and molecular modeling techniques. The data analysis on fluorescence titration experiments at various temperatures represents the enthalpy driven nature for the formation of Coumarin–βCN complex and the prevailed role of hydrogen bonds and van der Waals interactions in...

Journal: :International journal of pharmaceutical chemistry and analysis 2023

Molecular docking software is mainly used in drug development. offers a wide range of useful techniques for the creation and analysis pharmaceuticals. Before now, predicting target receptor was extremely challenging however, protein with ligand straightforward dependable procedure presently binding affinity designed. To see molecule's three-dimensional structure, variety tools have been created...

Journal: :physical chemistry research 2013
fatemeh keshavarz mohammad mehdi alavianmehr reza yousefi

studying the interaction of pharmaceutical ionic liquids with human serum albumin (hsa) can help investigating whether or not ionic liquid formation can enhance pharmacological profile of the discrete ingredients. in this respect, in the present work, the interactions of benzalkonium ibuprofenate, as a well-known active pharmaceutical ionic liquid, benzalkonium chloride, and also sodium ibuprof...

Journal: :iranian journal of pharmaceutical research 0
abdul majid ayatollahi phytochemistry research center and school of pharmacy, shahid beheshti university of medical sciences, tehran, i.r. iran. seyed mohammad zarei department of pharmacognosy, school of pharmacy, shahid beheshti university of medical sciences, tehran, i.r. iran. arash memarnejadian department of hepatitis and aids, institute pasture of iran, tehran, i.r. iran. mustafa ghanadian department of pharmacognosy, isfahan faculty of pharmacy, isfahan university of medical sciences, isfahan, i.r. iran. mohammad heydarian moghadam department of audiology, school of rehabilitation, shahid beheshti university of medical sciences, tehran, i.r. iran. farzad kobarfard department of medicinal chemistry, school of pharmacy, shahid beheshti university of medical sciences, tehran, i.r. iran.

phytochemical investigation of the aerial parts of euphorbia erythradenia bioss. (euphorbiaceae), one of iranian endemic euphorbias, with particular attention to triterpene constituents, using methanol solvent extraction was carried out. five known triterpenes, including four cycloartanes and oleanolic acid, were isolated for the first time and identified using nmr and mass techniques. anti hiv...

2009
Dariusz Ekonomiuk Xun-Cheng Su Kiyoshi Ozawa Christophe Bodenreider Siew Pheng Lim Gottfried Otting Danzhi Huang Amedeo Caflisch

Flaviviral protease inhibitors identied by fragment-based library docking into a structure generated by molecular dynamics

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