Normal Mode Analysis of Superoxide dismutase.

<p>The NMA data for SOD1 complexed with licocumarone show its structural dynamics. B-factor and deformability graphs show that licocumarone binding increases loop and terminal flexibility while retaining core stability. Variance and cross-correlation data suggest that ligand-induced conformati...

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Bibliographic Details
Main Author:	Zhizhong Wang (838758) (author)
Other Authors:	Sen Xu (111047) (author), Ailong Lin (20917898) (author), Chunxian Wei (22351609) (author), Zhiyong Li (47765) (author), Yingchun Chen (502343) (author), Bizhou Bie (20917901) (author), Ling Liu (143030) (author)
Published:	2025
Subjects:	Biophysics Biochemistry Genetics Molecular Biology Pharmacology Biotechnology Immunology Infectious Diseases Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified stage drug discovery six target proteins pathway enrichment using normal mode analysis leukocyte transendothelial migration key proteins implicated enrichment analyses provides comprehensive computational framework central node within brain barrier integrity docking analysis revealed tnf signaling pathways neurodegenerative disease driven targeting vascular dementia using molecular docking protein interaction network mthfr (&# 8722 mmp9 (&# 8722 highest binding affinity aplp1 (&# 8722 targeted therapeutic strategies mol ), resveratrol molecular docking binding affinity therapeutic relevance driven interventions associated pathways vascular pathology vascular dysfunction vad ), mol ), vad pathogenesis study highlights study employs structural influence silico approach requires multi regulatory importance protein cores oxidative stress neuroprotective potential natural ligands multiple vad mol ). loop regions linking inflammation induced stabilization findings warrant experimental validation enhanced flexibility
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Normal Mode Analysis of Superoxide dismutase.

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