ArticleMolecular diversity2026
Multi-modal machine learning and molecular modelling reveal structurally diverse inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B.
Article in Molecular diversity, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Protein tyrosine phosphatase B (PtpB) is a virulence-associated phosphotyrosine phosphatase secreted by Mycobacterium tuberculosis (Mtb), known to disrupt host immune signaling by dephosphorylating key proteins. Targeting PtpB represents a rational strategy for anti-TB drug discovery. This study presents an integrative computational framework for identifying and evaluating small-molecule inhibitors of Mtb PtpB. QSAR models were constructed using four molecular fingerprint types, CDK, PubChem, MACCS, and AtomPairs2DCount, as regression models predicting pIC
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