Background: Cancer is characterized by overexpression of p53 associated proteins, which down-regulate P53 signaling pathway. In cancer therapy, p53 activity can be restored by inhibiting the interaction of MDMX (2N0W) and MDM2 (4JGR) proteins with P53 protein. Objective: In the current, study in silico approaches were adapted to use a natural product as a source of cancer therapy. Methods: In the current study in silico approaches were adapted to use a natural product as a source of cancer therapy. For in silico studies, Chemdraw and Molecular Operating Environment were used for structure drawing and molecular docking, respectively. Flavonoids isolated from D. carota were docked with cancerous proteins. Result: Based on the docking score analysis, we found that compound 7 was the potent inhibitor of both cancerous proteins and can be used as a potent molecule for inhibition of 2N0W and 4JGR interaction with p53. Conclusion: Thus the compound 7 can be used for the revival of p53 signaling pathway function how-ever, intensive in vitro and in vivo experiments are required to prove the in silico analysis.
The molecular docking of flavonoids isolated from daucus carota as a dual inhibitor of MDM2 and MDMX / Muhammad, I.; Rahman, N.; Nayab, G. E.; Niaz, S.; Shah, M.; Af-Ridi, S. G.; Khan, H.; Daglia, M.; Capanoglu, E.. - In: RECENT PATENTS ON ANTI-CANCER DRUG DISCOVERY. - ISSN 1574-8928. - 15:2(2020), pp. 154-164. [10.2174/1574892815666200226112506]
The molecular docking of flavonoids isolated from daucus carota as a dual inhibitor of MDM2 and MDMX
Daglia M.;
2020
Abstract
Background: Cancer is characterized by overexpression of p53 associated proteins, which down-regulate P53 signaling pathway. In cancer therapy, p53 activity can be restored by inhibiting the interaction of MDMX (2N0W) and MDM2 (4JGR) proteins with P53 protein. Objective: In the current, study in silico approaches were adapted to use a natural product as a source of cancer therapy. Methods: In the current study in silico approaches were adapted to use a natural product as a source of cancer therapy. For in silico studies, Chemdraw and Molecular Operating Environment were used for structure drawing and molecular docking, respectively. Flavonoids isolated from D. carota were docked with cancerous proteins. Result: Based on the docking score analysis, we found that compound 7 was the potent inhibitor of both cancerous proteins and can be used as a potent molecule for inhibition of 2N0W and 4JGR interaction with p53. Conclusion: Thus the compound 7 can be used for the revival of p53 signaling pathway function how-ever, intensive in vitro and in vivo experiments are required to prove the in silico analysis.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
