Use my Search Websuite to scan PubMed, PMCentral, Journal Hosts and Journal Archives, FullText. Kick-your-searchterm to multiple Engines kick-your-query now !>

A dictionary by aggregated review articles of nephrology, medicine and the life sciences Your one-stop-run pathway from word to the immediate pdf of peer-reviewed on-topic knowledge.

10.3390/molecules26113251 http://scihub22266oqcxt.onion/10.3390/molecules26113251 34071361!8198987!34071361     free     free     free Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 213.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534       Molecules 2021 ; 26 (11): ä Nephropedia Template TP {{tp|p=34071361|t=2021. Molecular Dynamics of Cobalt Protoporphyrin Antagonism of the Cancer Suppressor REV-ERBbeta |pdf=|usr=}}{{34071361}} gab.com Text Molecular Dynamics of Cobalt Protoporphyrin Antagonism of the Cancer Suppressor REV-ERBbeta JO: Molecules http://www.kidney.de/pget.php?&tw=1&pmid=34071361 #FOAvip Nuclear receptor REV-ERBbeta is an overexpressed oncoprotein that has been used as a target for cancer treatment. The metal-complex nature of its ligand, iron protoporphyrin IX (Heme), enables the REV-ERBbeta to be used for multiple therapeutic modalities as a photonuclease, a photosensitizer, or a fluorescence imaging agent. The replacement of iron with cobalt as the metal center of protoporphyrin IX changes the ligand from an agonist to an antagonist of REV-ERBbeta. The mechanism behind that phenomenon is still unclear, despite the availability of crystal structures of REV-ERBbeta in complex with Heme and cobalt protoporphyrin IX (CoPP). This study used molecular dynamic simulations to compare the effects of REV-ERBbeta binding to Heme and CoPP, respectively. The initial poses of Heme and CoPP in complex with agonist and antagonist forms of REV-ERBbeta were predicted using molecular docking. The binding energies of each ligand were calculated using the MM/PBSA method. The computed binding affinity of Heme to REV-ERBbeta was stronger than that of CoPP, in agreement with experimental results. CoPP altered the conformation of the ligand-binding site of REV-ERBbeta, disrupting the binding site for nuclear receptor corepressor, which is required for REV-ERBbeta to regulate the transcription of downstream target genes. Those results suggest that a subtle change in the metal center of porphyrin can change the behavior of porphyrin in cancer cell signaling. Therefore, modification of porphyrin-based agents for cancer therapy should be conducted carefully to avoid triggering unfavorable effects. Twit Text FOAVip Molecular Dynamics of Cobalt Protoporphyrin Antagonism of the Cancer Suppressor REV-ERBbeta ????Molecules http://www.kidney.de/pget.php?&tw=1&pmid=34071361 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=34071361 #FOAvip English Wikipedia <ref>{{Cite pmid|34071361}}</ref> Molecular Dynamics of Cobalt Protoporphyrin Antagonism of the Cancer Suppressor REV-ERBbeta #MMPMID34071361 Fakih TM; Kurniawan F; Yusuf M; Mudasir M; Tjahjono DH Molecules 2021[May]; 26 (11): ä PMID34071361show ga Nuclear receptor REV-ERBbeta is an overexpressed oncoprotein that has been used as a target for cancer treatment. The metal-complex nature of its ligand, iron protoporphyrin IX (Heme), enables the REV-ERBbeta to be used for multiple therapeutic modalities as a photonuclease, a photosensitizer, or a fluorescence imaging agent. The replacement of iron with cobalt as the metal center of protoporphyrin IX changes the ligand from an agonist to an antagonist of REV-ERBbeta. The mechanism behind that phenomenon is still unclear, despite the availability of crystal structures of REV-ERBbeta in complex with Heme and cobalt protoporphyrin IX (CoPP). This study used molecular dynamic simulations to compare the effects of REV-ERBbeta binding to Heme and CoPP, respectively. The initial poses of Heme and CoPP in complex with agonist and antagonist forms of REV-ERBbeta were predicted using molecular docking. The binding energies of each ligand were calculated using the MM/PBSA method. The computed binding affinity of Heme to REV-ERBbeta was stronger than that of CoPP, in agreement with experimental results. CoPP altered the conformation of the ligand-binding site of REV-ERBbeta, disrupting the binding site for nuclear receptor corepressor, which is required for REV-ERBbeta to regulate the transcription of downstream target genes. Those results suggest that a subtle change in the metal center of porphyrin can change the behavior of porphyrin in cancer cell signaling. Therefore, modification of porphyrin-based agents for cancer therapy should be conducted carefully to avoid triggering unfavorable effects. |Binding Sites[MESH] |Chemistry, Pharmaceutical/methods[MESH] |Cobalt/*chemistry[MESH] |Heme/chemistry[MESH] |Humans[MESH] |Iron/chemistry[MESH] |Kinetics[MESH] |Ligands[MESH] |Metals[MESH] |Molecular Conformation[MESH] |Molecular Docking Simulation[MESH] |Molecular Dynamics Simulation[MESH] |Neoplasms/*drug therapy[MESH] |Peptides/chemistry[MESH] |Photosensitizing Agents/chemistry[MESH] |Porphyrins/chemistry[MESH] |Protein Binding[MESH] |Protoporphyrins/*antagonists & inhibitors[MESH] |Receptors, Cytoplasmic and Nuclear/antagonists & inhibitors/*chemistry/metabolism[MESH] |Repressor Proteins/antagonists & inhibitors/*chemistry/genetics[MESH]Molecular Dynamics of Cobalt Protoporphyrin Antagonism of the Cancer S(epmc).pdf DeepDyve Pubget Overpricing