Ligand and Structure-Based Virtual Screening in Combination, to Evaluate Small Organic Molecules as Inhibitors for the XIAP Anti-Apoptotic Protein: The Xanthohumol Hypothesis

Medicine & Life Sciences

• Density Functional Theory 100%
• xanthohumol 98%
• Chalcone 86%
• X-Linked Inhibitor of Apoptosis Protein 85%
• Apoptosis Regulatory Proteins 68%
• Molecular Dynamics Simulation 63%
• Antineoplastic Agents 55%
• Pharmacokinetics 43%
• Ligands 40%
• In Vitro Techniques 25%
• Pharmaceutical Preparations 23%

Chemical Compounds

• Xanthohumol 98%
• Antiapoptotic 81%
• Organic Molecule 52%
• Chalcone 33%
• Antineoplastic Agent 25%
• Ligand 25%
• Protein 23%
• Pharmacokinetics 21%
• Molecular Dynamics 21%
• Molecule 19%
• Simulation 18%
• Drug 15%

Physics & Astronomy

• inhibitors 66%
• ligands 57%
• screening 49%
• proteins 45%
• activity (biology) 36%
• molecules 30%
• drugs 28%
• reactivity 28%
• density functional theory 21%
• molecular dynamics 20%
• simulation 10%