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10.3892/ijmm.2017.2926 http://scihub22266oqcxt.onion/10.3892/ijmm.2017.2926 C5403524!5403524 !28339004     free     free     free Warning: file_get_contents(https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pubmed&id=28339004 &cmd=llinks): Failed to open stream: HTTP request failed! 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Cyclocurcumin, a curcumin derivative, exhibits immune-modulating ability and is a potential compound for the treatment of rheumatoid arthritis as predicted by the MM-PBSA method |pdf=|usr=}}{{28339004 }} gab.com Text Cyclocurcumin, a curcumin derivative, exhibits immune-modulating ability and is a potential compound for the treatment of rheumatoid arthritis as predicted by the MM-PBSA method JO: Int J Mol Med http://www.kidney.de/pget.php?&tw=1&pmid=28339004 #FOAvip The control and treatment of rheumatoid arthritis is a challenge in today's world. Therefore, the pursuit of natural disease-modifying antirheumatic drugs (DMRDs) remains a top priority in rheumatology. The present study focused on curcumin and its derivatives in the search for new DMRDs. We focused on prominent p38 mitogen-activated protein (MAP) kinase p38? which is a prime regulator of tumor necrosis factor-? (TNF-?), a key mediator of rheumatoid arthritis. In the present study, we used the X-ray crystallographic structure of p38? for molecular docking simulations and molecular dynamic simulations to study the binding modes of curcumin and its derivatives with the active site of p38?. The ATP-binding domain was used for evaluating curcumin and its derivatives. Molecular docking simulation results were used to select 4 out of 8 compounds. These 4 compounds were simulated using GROMACS molecular simulation platform; the results generated were subjected to molecular mechanics-Poisson Boltzmann surface area (MM-PBSA) calculations. The results showed cyclocurcumin as a potential natural compound for development of a potent DMRD. These data were further supported by inhibition of TNF-? release from lipopolysaccharide (LPS)-stimulated human macrophages following cyclocurcumin treatment. Twit Text FOAVip Cyclocurcumin, a curcumin derivative, exhibits immune-modulating ability and is a potential compound for the treatment of rheumatoid arthritis as predicted by the MM-PBSA method ????Int J Mol Med http://www.kidney.de/pget.php?&tw=1&pmid=28339004 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28339004 #FOAvip English Wikipedia <ref>{{Cite pmid|28339004 }}</ref> Cyclocurcumin, a curcumin derivative, exhibits immune-modulating ability and is a potential compound for the treatment of rheumatoid arthritis as predicted by the MM-PBSA method #MMPMID28339004 Fu M ; Chen L ; Zhang L ; Yu X ; Yang Q Int J Mol Med 2017[May]; 39 (5 ): 1164-1172 PMID28339004 show ga The control and treatment of rheumatoid arthritis is a challenge in today's world. Therefore, the pursuit of natural disease-modifying antirheumatic drugs (DMRDs) remains a top priority in rheumatology. The present study focused on curcumin and its derivatives in the search for new DMRDs. We focused on prominent p38 mitogen-activated protein (MAP) kinase p38? which is a prime regulator of tumor necrosis factor-? (TNF-?), a key mediator of rheumatoid arthritis. In the present study, we used the X-ray crystallographic structure of p38? for molecular docking simulations and molecular dynamic simulations to study the binding modes of curcumin and its derivatives with the active site of p38?. The ATP-binding domain was used for evaluating curcumin and its derivatives. Molecular docking simulation results were used to select 4 out of 8 compounds. These 4 compounds were simulated using GROMACS molecular simulation platform; the results generated were subjected to molecular mechanics-Poisson Boltzmann surface area (MM-PBSA) calculations. The results showed cyclocurcumin as a potential natural compound for development of a potent DMRD. These data were further supported by inhibition of TNF-? release from lipopolysaccharide (LPS)-stimulated human macrophages following cyclocurcumin treatment. |*Models, Molecular [MESH] |Antirheumatic Agents/*chemistry/*pharmacology [MESH] |Cell Line [MESH] |Cell Proliferation/drug effects [MESH] |Curcumin/analogs & derivatives/*chemistry/*pharmacology [MESH] |Humans [MESH] |Immunologic Factors/*chemistry/*pharmacology [MESH] |Macrophages/drug effects/metabolism [MESH] |Molecular Conformation [MESH] |Molecular Docking Simulation [MESH] |Molecular Dynamics Simulation [MESH] |Structure-Activity Relationship [MESH]Cyclocurcumin, a curcumin derivative, exhibits immune-modulating abili(epmc).pdf DeepDyve Pubget Overpricing