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10.1038/s41598-017-11924-4 http://scihub22266oqcxt.onion/10.1038/s41598-017-11924-4 C5595859!5595859 !28900272     free     free     free Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 211.6 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Deprecated: Implicit conversion from float 245.2 to int loses precision in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 534 Warning: imagejpeg(C:\Inetpub\vhosts\kidney.de\httpdocs\phplern\28900272 .jpg): Failed to open stream: No such file or directory in C:\Inetpub\vhosts\kidney.de\httpdocs\pget.php on line 117       Sci+Rep 2017 ; 7 (1 ): 11401 Nephropedia Template TP {{tp|p=28900272 |t=2017. From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns |pdf=|usr=}}{{28900272 }} gab.com Text From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns JO: Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28900272 #FOAvip Drug repositioning identifies new indications for known drugs. Here we report repositioning of the malaria drug amodiaquine as a potential anti-cancer agent. While most repositioning efforts emerge through serendipity, we have devised a computational approach, which exploits interaction patterns shared between compounds. As a test case, we took the anti-viral drug brivudine (BVDU), which also has anti-cancer activity, and defined ten interaction patterns using our tool PLIP. These patterns characterise BVDU's interaction with its target s. Using PLIP we performed an in silico screen of all structural data currently available and identified the FDA approved malaria drug amodiaquine as a promising repositioning candidate. We validated our prediction by showing that amodiaquine suppresses chemoresistance in a multiple myeloma cancer cell line by inhibiting the chaperone function of the cancer target Hsp27. This work proves that PLIP interaction patterns are viable tools for computational repositioning and can provide search query information from a given drug and its target to identify structurally unrelated candidates, including drugs approved by the FDA, with a known safety and pharmacology profile. This approach has the potential to reduce costs and risks in drug development by predicting novel indications for known drugs and drug candidates. Twit Text FOAVip From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns ????Sci Rep http://www.kidney.de/pget.php?&tw=1&pmid=28900272 #FOAvip Twit Text # Free Paper on # # # # # LINK http://www.kidney.de/pget.php?&tw=1&pmid=28900272 #FOAvip English Wikipedia <ref>{{Cite pmid|28900272 }}</ref> From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns #MMPMID28900272 Salentin S ; Adasme MF ; Heinrich JC ; Haupt VJ ; Daminelli S ; Zhang Y ; Schroeder M Sci Rep 2017[Sep]; 7 (1 ): 11401 PMID28900272 show ga Drug repositioning identifies new indications for known drugs. Here we report repositioning of the malaria drug amodiaquine as a potential anti-cancer agent. While most repositioning efforts emerge through serendipity, we have devised a computational approach, which exploits interaction patterns shared between compounds. As a test case, we took the anti-viral drug brivudine (BVDU), which also has anti-cancer activity, and defined ten interaction patterns using our tool PLIP. These patterns characterise BVDU's interaction with its target s. Using PLIP we performed an in silico screen of all structural data currently available and identified the FDA approved malaria drug amodiaquine as a promising repositioning candidate. We validated our prediction by showing that amodiaquine suppresses chemoresistance in a multiple myeloma cancer cell line by inhibiting the chaperone function of the cancer target Hsp27. This work proves that PLIP interaction patterns are viable tools for computational repositioning and can provide search query information from a given drug and its target to identify structurally unrelated candidates, including drugs approved by the FDA, with a known safety and pharmacology profile. This approach has the potential to reduce costs and risks in drug development by predicting novel indications for known drugs and drug candidates. |*Computational Biology/methods [MESH] |*Drug Repositioning/methods [MESH] |Amodiaquine/chemistry/*pharmacology/therapeutic use [MESH] |Antimalarials/chemistry/*pharmacology/therapeutic use [MESH] |Antineoplastic Agents/chemistry/*pharmacology/therapeutic use [MESH] |Cell Line, Tumor [MESH] |HSP27 Heat-Shock Proteins/antagonists & inhibitors [MESH] |Humans [MESH] |Ligands [MESH] |Models, Molecular [MESH] |Molecular Conformation [MESH] |Protein Binding [MESH] |Reproducibility of Results [MESH]From malaria to cancer: Computational drug repositioning of amodiaquin(epmc).pdf DeepDyve Pubget Overpricing