Harshini Suresha

Structural and Interaction-Based Analysis of MMP-7 Inhibition Using Molecular Docking

Ligand Profiling & Metalloprotease Inhibition

Year2025
LocationPES University
TagsAutoDock Vina, ChEMBL, PDB 1MMQ, Pareto analysis
LinksWebsiteDocking LabAppGitHubColab
harshini-suresha.github.io/mmp7Open harshini-suresha.github.io/mmp7 ↗
Screenshot of the Structural and Interaction-Based Analysis of MMP-7 Inhibition Using Molecular Docking website

The 50 most potent ChEMBL MMP-7 inhibitors docked into PDB 1MMQ, scored on both affinity and Zn²⁺ chelation geometry with a dual-criterion and Pareto-front hit selection.

Nov 2024 – Dec 2025 at PES University, Bangalore.

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