title: Virtual screening of Piperine analogs as Survivin inhibitors and their molecular interaction analysis by using consensus docking, MD simulation, MMPB/GBSA and alanine scanning techniques.
authors: a Department of Chemistry , University of Isfahan , Isfahan 81746-73441 , Iran.
authors: Elham
authors: E
authors: Sattarinezhad
authors: a Department of Chemistry , University of Isfahan , Isfahan 81746-73441 , Iran.
authors: Abdol-Khalegh
authors: AK
authors: Bordbar
authors: a Department of Chemistry , University of Isfahan , Isfahan 81746-73441 , Iran.
authors: Najmeh
authors: N
authors: Fani
mesh_terms: D000409:Alanine / Q000737:chemistry*; D000470:Alkaloids / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D052117:Benzodioxoles / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D051034:Inhibitor of Apoptosis Proteins / Q000037:antagonists & inhibitors / Q000737:chemistry*; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D009369:Neoplasms / Q000188:drug therapy* / Q000473:pathology; D010880:Piperidines / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D053284:Polyunsaturated Alkamides / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology*; D011485:Protein Binding; D000077022:Survivin; D014584:User-Computer Interface
chemical_list: D000470:Alkaloids; C107489:BIRC5 protein, human; D052117:Benzodioxoles; D051034:Inhibitor of Apoptosis Proteins; D010880:Piperidines; D053284:Polyunsaturated Alkamides; D000077022:Survivin; D000409:Alanine; C008922:piperine