Open Daily: 10am - 10pm | Alley door pickup 10am - 7pm 3038 Hennepin Ave Minneapolis, MN
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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
In Silico Discovery of Ndm-1 Metallo-β-Lactamase Inhibitors

In Silico Discovery of Ndm-1 Metallo-β-Lactamase Inhibitors

S, Raghavendra

Paperback

Medical Reference

ISBN10: 6630056426
ISBN13: 9786630056426
Publisher: LAP Lambert Academic Publishing
Published: May 18 2026
Pages: 52
Weight: 0.18
Height: 0.12 Width: 6.00 Depth: 9.00
Language: English
This book presents a comprehensive in silico drug discovery study focused on identifying potential inhibitors of New Delhi metallo-β-lactamase-1 (NDM-1), a key enzyme responsible for extensive β-lactam antibiotic resistance in Klebsiella pneumoniae. The work addresses the growing global threat of antimicrobial resistance and emphasizes the urgent need for novel therapeutic strategies against NDM-1-producing pathogens.The study follows a systematic computational workflow that includes protein retrieval and active-site identification, molecular docking, virtual screening, ADMET and toxicity prediction, and molecular dynamics (MD) simulations. The crystal structure of NDM-1 (PDB ID: 6NY7) was used as the target protein, and docking model validation was performed using the native ligand interactions.The findings conclude that the identified sulfonamide derivatives exhibit strong binding affinity, favorable ADME profiles, low toxicity, and stable interaction with NDM-1. The book establishes these compounds as potential lead candidates for further experimental validation and development against infections caused by NDM-1-producing Klebsiella pneumoniae.

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