Synthesis, Molecular Modeling and Anticancer Activity of New Rescinnamine Derivatives as MMR-Inducers
naguib, S., Aly, O., Abourhma, G., King, S., Salsbury, F., Scarpinato, K., Diamanduros, A. (2023). Synthesis, Molecular Modeling and Anticancer Activity of New Rescinnamine Derivatives as MMR-Inducers. EKB Journal Management System, 2(1), 21-35. doi: 10.21608/odr.2023.171707.1019
shimaa naguib; Omar Aly; Gamal Abourhma; Stephen King; Freddie Salsbury; Karin Scarpinato; Andrew Diamanduros. "Synthesis, Molecular Modeling and Anticancer Activity of New Rescinnamine Derivatives as MMR-Inducers". EKB Journal Management System, 2, 1, 2023, 21-35. doi: 10.21608/odr.2023.171707.1019
naguib, S., Aly, O., Abourhma, G., King, S., Salsbury, F., Scarpinato, K., Diamanduros, A. (2023). 'Synthesis, Molecular Modeling and Anticancer Activity of New Rescinnamine Derivatives as MMR-Inducers', EKB Journal Management System, 2(1), pp. 21-35. doi: 10.21608/odr.2023.171707.1019
naguib, S., Aly, O., Abourhma, G., King, S., Salsbury, F., Scarpinato, K., Diamanduros, A. Synthesis, Molecular Modeling and Anticancer Activity of New Rescinnamine Derivatives as MMR-Inducers. EKB Journal Management System, 2023; 2(1): 21-35. doi: 10.21608/odr.2023.171707.1019

Synthesis, Molecular Modeling and Anticancer Activity of New Rescinnamine Derivatives as MMR-Inducers

Octahedron Drug Research
Volume 2, Issue 1, January 2023, Page 21-35  XML PDF (646.43 K)
Document Type: Research Articles
DOI: 10.21608/odr.2023.171707.1019
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Authors
shimaa naguib email 1; Omar Alyorcid 2; Gamal Abourhma3; Stephen King4; Freddie Salsbury5; Karin Scarpinato6; Andrew Diamanduros7
1Département of medicinal chemistry, faculty of pharmacy, Minia university, Minia, Egypt.
2Department of Medicinal Chemistry, Faculty of Pharmacy, Minia University , Minia , Egypt
3Department of Medicinal Chemistry, Faculty of Pharmacy, Minia University , Minia , Egypt Department of organic Chemistry, Faculty of Pharmacy, Deraya University , Minia , Egypt
4Department of Chemistry, Wake Forest University, Winston-Salem, NC, USA
5Department of Physics, Wake Forest University, Winston-Salem, NC, USA
6Department of Biology, Georgia Southern University, Statesboro, GA,USA
7Department of Biology, Georgia Southern University, Statesboro, GA
Abstract
Mis-match repair proteins (MMR), such as MSH2/MSH6 have DNA dual functions, repair and death functions. Rawolfia alkaloids such as rescinnamine is capable to induce their death conformation lead the cancer cell to the apoptotic pathway.. Cell viability assays were performed using the MTS assay on both deficient and proficient endometrial HEC59 cancer cell line. Additionally, The survival effect of 2-5, 8-10 and 14 vs rescinnamine on PC3-cancer cell line was measured by MTS assay. In this study, rescinnamine analouges 4,5,8-10 and 14 were designed as new MSH2/MSH6 inducers based on virtual fragment screening performed in the advanced Autodock4 program generating 3D pdbq files. The modeling study revealed that most of the synthesized rescinnamine derivatives show small Ki except those two analogues 1 and 3. Results show that most of reserpate intermediate and their rescinnamineanalouges exhibited a promising activity as significant cytotoxic compounds but with small MSH2 dependence that may be considered potential candidate compounds for tumour treatment.
Keywords
Rescinnamine; MMR; Heck; Anticancer; Docking
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