نتایج جستجو برای: qsar molecular docking

تعداد نتایج: 645530  

Journal: :Molecules 2014
Domenico Spinelli Roberta Budriesi Barbara Cosimelli Elda Severi Matteo Micucci Massimo Baroni Fabio Fusi Pierfranco Ioan Simon Cross Maria Frosini Simona Saponara Rosanna Matucci Camillo Rosano Maurizio Viale Alberto Chiarini Emanuele Carosati

As a result of the ring-into-ring conversion of nitrosoimidazole derivatives, we obtained a molecular scaffold that, when properly decorated, is able to decrease inotropy by blocking L-type calcium channels. Previously, we used this scaffold to develop a quantitative structure-activity relationship (QSAR) model, and we used the most potent oxadiazolothiazinone as a template for ligand-based vir...

Journal: :biomacromolecular journal 0
somaye shahraki department of chemistry, university of zabol, zabol fereshteh shiri department of chemistry, university of zabol hassan mansouri-torshizi department of chemistry, university of sistan & baluchestan, zahedan

the interaction between [pt(phen)(pyrr-dtc)]no3 (where phen = 1,10-phenanthroline and pyrr-dtc =pyrrolidinedithiocarbamat) with human serum albumin (hsa) was studied by fluorescence, uv–vis absorption, circular dichroism (cd) spectroscopy and molecular docking technique under like physiological condition in tris–hcl buffer solution at ph 7.4. uv-vis absorption spectroscopy indicates that the pro...

Journal: :molecular biology research communications 2013
fatemeh keshavarz mohammad mehdi alavianmehr reza yousefi

disposition and transportation of anticancer drugs by human serum albumin (hsa) affects their bioavailability, distribution and elimination. in this study, the interaction of a set of anticancer drugs with hsa was investigated by molecular dynamics and molecular docking simulations. the drugs' activities were analyzed according to their docking scores, binding sites and structural descriptors. ...

2017

Drug designing and molecular dynamic studies were an intense, lengthy and an inter-disciplinary venture. At present, a new approach towards the use of computational chemistry and molecular modeling for in-silico drug design. Computational in-silico drug design skills are used in bioinformatics, computational biology and molecular biology. Drug designing using in-silico methods is cost effective...

Journal: :iranian journal of public health 0
azadeh ebrahim-habibi bagher larijani

modeling and simulation techniques are now widely used alongside with their experimental counterparts in order to complement them, or sometimes to bring first insights into the possible outcome of experiments. “modeling” is a general word that could encompass a wide range of methods that could be applied to a variety of subjects and problems. here, the use of selected molecular modeling methods...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید