Abstract
Background: Matrix metalloproteinase-2 (MMP2) plays a role in breaking down the components of the extracellular matrix, which allows cancer cells to advance and invade. Therefore, the inhibition of MMP2 shows potential as a promising strategy for treating cancer.Methods: This study employed computational screening to identify MMP2 inhibitors from a collection of 2,405 natural compounds. GLXC-26716, the co-crystal ligand of MMP2, served as the positive control. Virtual screening was performed using PyRx 8.0 software to find molecules that might inhibit the active site of MMP2.Results: The virtual screening process has identified five potential candidates: ZINC000000001412, ZINC000001612328, ZINC000001614079, ZINC000000119988, and ZINC0000000047553. These candidates were selected based on their strong binding affinities and interactions with MMP2. These compounds, which adhere to Lipinski's Rule of Five and have significant physicochemical properties, show promise as MMP2 inhibitors.Conclusion: The finding of this study indicates a preliminary investigation into an innovative approach for managing cancer that inhibits the invasion and dissemination of cancer cells.Keywords: Matrix Metalloproteinase-2; Natural compounds; Cancer; Virtual screening
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
