• Uma Kumari (Corresponding First Author)
• Adya A P (First Author)
• Shruthi Satheesan (First Author)
• Uma Kumari

Abstract: Myeloid cell leukemia 1 (Mcl1) is an anti-apoptotic protein overexpressed in various cancers, including leukemia, making it an attractive target for therapeutic intervention. This study explores the interaction between MBP-Mcl1 and Ligand 12 using Biopython for structural analysis and CBDock for molecular docking simulations. Py3Dmol was employed for structural visualization, offering insights into binding site accessibility and protein-ligand interactions. Examination of protein sequence such as MBP-MCL1,helping to identify in classification of protein.The results reveal Ligand 12's high binding affinity, minimal conformational changes in Mcl1 upon binding, and critical residue interactions.Biopython contribution for researchers to the advancement of targeted therapies,potential outcomes for leukemia patients.These findings highlight Ligand 12 as a promising candidate for targeted therapy against myeloid cell leukemia and establish a workflow for integrating computational tools in drug discovery.

Keywords: Myeloid cell leukemia; Molecular Docking; Biopython;Binding effinity, Mcl1; Bcl-2

"DRUG DISCOVERY AND BIOPYTHON ANALYSIS MBP-MCL1 IN MYELOID CELL LEUKEMIA", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.12, Issue 1, page no.f178-f187, January-2025, Available :http://www.jetir.org/papers/JETIR2501519.pdf

"DRUG DISCOVERY AND BIOPYTHON ANALYSIS MBP-MCL1 IN MYELOID CELL LEUKEMIA", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.12, Issue 1, page no. ppf178-f187, January-2025, Available at : http://www.jetir.org/papers/JETIR2501519.pdf