ArticleiScience2026
Harnessing the structural determinants amenable for polypharmacological behavior of 7D against Sirt1 and CXCR3.
Article in iScience, 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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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Authors and funding
3 authors.
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Abstract
Discovery of polypharmacological agents, inhibiting targets, either the same or diverse pathways, is an emerging paradigm in drug discovery. Designing such a candidate is challenging due to the lack of structural and dynamical consensus determinants of interacting partners. We identified a dual target inhibitor, 7D (mono-peptide of benzimidazole), a dengue antiviral lead against host proteins (Sirt1 and CXCR3) to underpin polypharmacological features. Targeting host proteins represents a compelling antiviral strategy as the modulation of host-regulated pathways can suppress dengue virus replication without directly engaging viral proteins, thereby minimizing the risk of resistance. Genesis of 7D discovery, critical determinants were identified for its rational designing to achieve Sirt1 selectivity. Focusing on the antiviral target, CXCR3 was explored via virtual screening of the in-house compound library. Among identified candidates, 7D appeared to be a potential hit, confirmed via
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