Computational identification of natural inhibitors targeting GroEL in Leptospira interrogans: an integrative virtual screening and molecular dynamics approach.

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Title: Computational identification of natural inhibitors targeting GroEL in Leptospira interrogans: an integrative virtual screening and molecular dynamics approach.
Authors: Sethi G; Center for Large Animals Convergence Research, Korea Institute of Toxicology, Jeongeup-si, Jeollabuk-do, Republic of Korea., Sahoo S; Department of Agricultural Convergence Technology, Jeonbuk National University, Jeonju, Republic of Korea., Han SC; Center for Large Animals Convergence Research, Korea Institute of Toxicology, Jeongeup-si, Jeollabuk-do, Republic of Korea., Shin D; Department of Agricultural Convergence Technology, Jeonbuk National University, Jeonju, Republic of Korea., Hwang JH; Division of Advanced Predictive Research, Center for Bio-Signal Research, Korea Institute of Toxicology, Daejeon, Republic of Korea.
Source: Frontiers in cellular and infection microbiology [Front Cell Infect Microbiol] 2026 Feb 02; Vol. 15, pp. 1733096. Date of Electronic Publication: 2026 Feb 02 (Print Publication: 2025).
Publication Type: Journal Article
Journal Info: Publisher: Frontiers Media SA Country of Publication: Switzerland NLM ID: 101585359 Publication Model: eCollection Cited Medium: Internet ISSN: 2235-2988 (Electronic) Linking ISSN: 22352988 NLM ISO Abbreviation: Front Cell Infect Microbiol Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:2235-2988
DOI:10.3389/fcimb.2025.1733096