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Research Articles

In silico based unraveling of New Delhi metallo-β-lactamase (NDM-1) inhibitors from natural compounds: a molecular docking and molecular dynamics simulation study

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Pages 2093-2103 | Received 23 Feb 2019, Accepted 22 May 2019, Published online: 11 Jun 2019

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Read on this site (6)

Shailaja S, Harshitha N, Aneesa Fasim, Sunil S. More & Susweta Das Mitra. (2023) Identification of a potential inhibitor for New Delhi metallo-β-lactamase 1 (NDM-1) from FDA approved chemical library- a drug repurposing approach to combat carbapenem resistance. Journal of Biomolecular Structure and Dynamics 41:16, pages 7700-7711.
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Bipasa Kar, Chanakya Nath Kundu, Sanghamitra Pati & Debdutta Bhattacharya. (2023) Discovery of phyto-compounds as novel inhibitors against NDM-1 and VIM-1 protein through virtual screening and molecular modelling. Journal of Biomolecular Structure and Dynamics 41:4, pages 1267-1280.
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Lalitha Cheepurupalli, Aathithya Diaz, Adithya Conjeevaram Gopal, Sudarshan Singh Rathore, Vigneshwar Ramakrishnan & Jayapradha Ramakrishnan. (2022) In vitro and in silico screening of Klebsiella pneumoniae new Delhi metallo-β-lactamase-1 inhibitors from endophytic Streptomyces spp.. Journal of Biomolecular Structure and Dynamics 40:24, pages 13593-13605.
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Altevir Rossato Viana, B. Godoy Noro, J. C. Lenz, M. Luiza Machado Teixeira, M. Bolson Serafin, R. Hörner, C. Franco, L. Maria Fontanari Krause, B. Stefanello Vizzotto & B. Jalfim Maraschin. (2022) Cytotoxic screening and antibacterial activity of Withaferin A. Journal of Toxicology and Environmental Health, Part A 85:16, pages 685-698.
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Ridhi Sharma, Dhananjay Jade, Surender Mohan, Rahul Chandel & Shobana Sugumar. (2021) In-silico virtual screening for identification of potent inhibitor for L2-β-lactamase from Stenotrophomonas maltophilia through molecular docking, molecular dynamics analysis study. Journal of Biomolecular Structure and Dynamics 39:18, pages 7123-7137.
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Arunika Krishnan, Faez Iqbal Khan, Sudarkodi Sukumar & Md. Khurshid Alam Khan. Identification of potential molecular targets and repurposed drugs for tuberculosis using network-based screening approach, molecular docking, and simulation. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-19.
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Articles from other publishers (6)

Noemi Bognanni, Fabrizia Brisdelli, Alessandra Piccirilli, Livia Basile, Luana La Piana, Stefano Di Bella, Luigi Principe, Graziella Vecchio & Mariagrazia Perilli. (2023) New polyimidazole ligands against subclass B1 metallo-β-lactamases: Kinetic, microbiological, docking analysis. Journal of Inorganic Biochemistry 242, pages 112163.
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Eduvan Valencia, Wilson Olarte, Mauricio Galvis & Fernanda Sastoque. (2023) REVISIÓN, CARACTERIZACIÓN Y ANÁLISIS BIOINFORMÁTICO DE NUEVA DELHI METALO-β-LACTAMASA-1 (NDM-1) Y SUS VARIANTES. Revista de la Facultad de Ciencias 12:1, pages 59-76.
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Sreenithya K. H, Dhananjay Jade, Michael A. Harrison & Shobana Sugumar. (2022) Identification of natural inhibitor against L1 β-lactamase present in Stenotrophomonas maltophilia. Journal of Molecular Modeling 28:11.
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Ghazala Muteeb, Md Tabish Rehman, Mohamed F. AlAjmi, Mohammad Aatif, Mohd Farhan & Sheeba Shafi. (2022) Identification of a Potential Inhibitor (MCULE-8777613195-0-12) of New Delhi Metallo-β-Lactamase-1 (NDM-1) Using In Silico and In Vitro Approaches. Molecules 27:18, pages 5930.
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Xiaoxia Gu, Mengzhu Zheng, Lixia Chen & Hua Li. (2022) The development of New Delhi metallo-β-lactamase-1 inhibitors since 2018. Microbiological Research 261, pages 127079.
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Ghazala Muteeb, Abdulrahman Alsultan, Mohd Farhan & Mohammad Aatif. (2022) Risedronate and Methotrexate Are High-Affinity Inhibitors of New Delhi Metallo-β-Lactamase-1 (NDM-1): A Drug Repurposing Approach. Molecules 27:4, pages 1283.
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