Molecular Docking Study of Astaxanthin Derived from Radio-Resistant Bacterium Deinococcus sp. Strain WMA-LM9 to Matrix Metalloproteinase-1, 3 (MMP-1, MMP-3)
Abstract
Objective: To assess role of astaxanthin in downregulation of matrix metalloproteinases (MMP-1 and MMP-3) as potential mitigator for skin aging and antioxidant for different pathological diseases
Study Design: Cross sectional.
Place and Duration of Study: The study was carried out at Department of Biological Sciences of National University of Medical Sciences, Rawalpindi, Pakistan from June 2019 to March 2020.
Materials and Methods: The docking studies of two different matrix metalloproteinases (MMP-1, MMP-3) with astaxanthin were carried out using Autodock/vina. The structural details were obtained from protein data bank and subjected to energy minimization using the UCSF Chimera 1.12.|
Results: Out of the two selected targets, we found the highest binding energy (-11.9 kacl/mol) was for stromelysin-1 and astaxanthin docked complex. Astaxanthin was found to bind within the reported, predominantly hydrophobic S1, active site of protein mostly by hydrophobic interactions. The catalytic zinc ion has also shown to establish an electrostatic interaction with histidine residues of the MMPs.
Conclusion: The current results suggest that astaxanthin has potential inhibitory activity on MMP-1 and MMP-3 and can be used as treatment to sunburns and skin aging.
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