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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

S. Mudedla

h-index 13 View on Semantic Scholar

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Oct 2026

Design, Synthesis and Dual-Stage Antimalarial Evaluation of β-Carboline−Metronidazole Hybrids: Structure−Activity Relationship and Molecular Docking Correlations

Malaria remains a major global health challenge, exacerbated by emerging drug-resistant Plasmodium strains. Herein, we report the design, synthesis, and dual-stage antimalarial evaluation of β-carboline−metronidazole hybrids. The synthesized hybrids, linked through ester and amide bonds, were evaluated in vitro again...

Alka Raj Pandey, S. P. Singh, Rohini Nandi et al. · 0 citations
Jul 2026

Computational discovery of DENV-3 RdRp allosteric inhibitors: biological evaluation and mechanistic studies.

A similarity-guided virtual screening approach to the Maybridge compound library is employed by combining molecular docking and molecular dynamics simulations with binding free energy calculations to identify and prioritize candidate allosteric site inhibitors for DENV-3 RdRp.

Gokul Krishnan Nagendran, Swati Fageria, Divya Bhatt et al. · 0 citations

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