Abel Ujaigbe Egbemhenghe, Olajide Enoch Aderemi, Bamidele Samson Omotara, Faith Iyayi Akhimien, Faith Osaretin Osabuohien, Habeebulah Ajibola Adedapo, Oluwakemi Rita Temionu, Winner Amaka Egejuru, Chinedum Favour Ajala, Meejay Francis Ihunanya, Oluwatosin Oluwafunmilola Oluwafemi, Chinyere Felicia Duncan Onu, Abosede Christiana Ajibare, Christopher Ddamulira, Justin Onyekachukwu Abalum, Olanrewaju Michael Afolayan
The regulation of the p53 tumor suppressor pathway is critically dependent on the activity of Murine Double Minute 2 (MDM2) and Murine Double Minute X (MDMX) proteins. In certain types of cancer cells, excessive amount of MDMX can poly-ubiquitinate p53, which can result in its degradation, leading to a subsequent reduction in the levels of this protein. Therefore, the design of small-molecule inhibitors targeting the MDMX-p53 interaction has emerged as a promising strategy for cancer therapy. In this study, we employed computational techniques including pharmacophore modeling and molecular docking to identify three potential small molecule inhibitors (CID_25094615, CID_137634453, and CID_25094344) of the MDMX-p53 interaction from a PubChem database...
August 14, 2023: Journal of Biomolecular Structure & Dynamics