Binding Modes of Quinuclidinium Esters to Butyrylcholinesterase
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چکیده
منابع مشابه
In-silico Investigation of Tubulin Binding Modes of a Series of Novel Antiproliferative Spiroisoxazoline Compounds Using Docking Studies
Interference with microtubule polymerization results in cell cycle arrest leading to cell death. Colchicine is a well-known microtubule polymerization inhibitor which does so by binding to a specific site on tubulin. A set of 3',4'-bis (substituted phenyl)-4'H-spiro[indene-2,5'-isoxazol]-1(3H)-one derivatives with known antiproliferative activities were evaluated for their tubulin binding modes...
متن کاملIn-silico Investigation of Tubulin Binding Modes of a Series of Novel Antiproliferative Spiroisoxazoline Compounds Using Docking Studies
Interference with microtubule polymerization results in cell cycle arrest leading to cell death. Colchicine is a well-known microtubule polymerization inhibitor which does so by binding to a specific site on tubulin. A set of 3',4'-bis (substituted phenyl)-4'H-spiro[indene-2,5'-isoxazol]-1(3H)-one derivatives with known antiproliferative activities were evaluated for their tubulin binding modes...
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Our AutoDock-based incremental docking protocol [66], at each incremental step, explores a few rotatable bonds. A small fragment of a large ligand, with a small number of rotatable bonds, is first selected and its rotatable bonds are set active. Only the active rotatable bonds are explored in each docking operation. The fragment is docked to the protein using AutoDock [44,65] and few best-scori...
متن کاملBinding Modes of Peptidomimetics Designed to Inhibit STAT3
STAT3 is a transcription factor that has been found to be constitutively activated in a number of human cancers. Dimerization of STAT3 via its SH2 domain and the subsequent translocation of the dimer to the nucleus leads to transcription of anti-apoptotic genes. Prevention of the dimerization is thus an attractive strategy for inhibiting the activity of STAT3. Phosphotyrosine-based peptidomimet...
متن کاملDeciphering the binding modes of hematoporphyrin to bovine serum albumin.
Interaction of proteins with small molecules is important in understanding delivery and transport of different therapeutic agents, including drugs. In the present study, we investigated the interaction between hematoporphyrin (HP), the principal component of photosensitizing drug with bovine serum albumin (BSA) in aqueous buffer solution using UV-Vis absorption spectroscopy and fluorescence mea...
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ژورنال
عنوان ژورنال: Croatica Chemica Acta
سال: 2012
ISSN: 0011-1643,1334-417X
DOI: 10.5562/cca2060