Investigation and drug design for novel molecules from natural products as inhibitors for controlling multiple myeloma disease using in-silico tools

• Published in: Journal of biomolecular structure & dynamics Vol. 43; no. 5; pp. 2463 - 2478
• Main Authors: Zari, Ali, Kurdi, Lina A. F., Jaber, Fatima A., Alghamdi, Khalid M. S., Zari, Talal A., Bahieldin, Ahmed, Hakeem, Khalid Rehman, Alnahdi, Hanan S., Edris, Sherif, Ashraf, Ghulam Md
• Format: Journal Article
• Language: English
• Published: England Taylor & Francis 24.03.2025
• Subjects: Anticancer; Binding Sites; Biological Products - chemistry; Biological Products - pharmacology; Biological Products - therapeutic use; Computer Simulation; docking analysis; Drug Design; Humans; Hydrogen Bonding; in silico analysis; misregulation; Molecular Docking Simulation; molecular dynamic simulation; Molecular Dynamics Simulation; Multiple Myeloma - drug therapy; Protein Binding; Thermodynamics; in silico analysis; misregulation; Anticancer; molecular dynamic simulation; docking analysis

Multiple myeloma (MM) is a disease that causes plasma cell growth in the bone marrow and immune globulin buildup in blood and urine. Despite recent advances in MM therapy, many still die due to its high mortality rate. A study using computational simulations analyzed 100 natural ingredients from the...