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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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  Data: Computational identification of natural inhibitors targeting GroEL in Leptospira interrogans: an integrative virtual screening and molecular dynamics approach.
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  Data: <searchLink fieldCode="AU" term="%22Sethi+G%22">Sethi G</searchLink>; Center for Large Animals Convergence Research, Korea Institute of Toxicology, Jeongeup-si, Jeollabuk-do, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Sahoo+S%22">Sahoo S</searchLink>; Department of Agricultural Convergence Technology, Jeonbuk National University, Jeonju, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Han+SC%22">Han SC</searchLink>; Center for Large Animals Convergence Research, Korea Institute of Toxicology, Jeongeup-si, Jeollabuk-do, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Shin+D%22">Shin D</searchLink>; Department of Agricultural Convergence Technology, Jeonbuk National University, Jeonju, Republic of Korea.<br /><searchLink fieldCode="AU" term="%22Hwang+JH%22">Hwang JH</searchLink>; Division of Advanced Predictive Research, Center for Bio-Signal Research, Korea Institute of Toxicology, Daejeon, Republic of Korea.
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  Data: <searchLink fieldCode="JN" term="%22101585359%22">Frontiers in cellular and infection microbiology</searchLink> [Front Cell Infect Microbiol] 2026 Feb 02; Vol. 15, pp. 1733096. <i>Date of Electronic Publication: </i>2026 Feb 02 (<i>Print Publication: </i>2025).
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Frontiers+Media+SA%22">Frontiers Media SA </searchLink><i>Country of Publication: </i>Switzerland <i>NLM ID: </i>101585359 <i>Publication Model: </i>eCollection <i>Cited Medium: </i>Internet <i>ISSN: </i>2235-2988 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2222352988%22">22352988 </searchLink><i>NLM ISO Abbreviation: </i>Front Cell Infect Microbiol <i>Subsets: </i>MEDLINE
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        Value: 10.3389/fcimb.2025.1733096
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              Text: 2026 Feb 02
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