In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant Tuberculosis

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Main Authors: Rajkumar Kulandaisamy, Tushar Kushwaha, Manoj Kumar, Aparoy Polamarasetty, Saroj Kumar, Shivajirao L. Gholap, Mohan B Appaiahgari, Soumya De, Krishna Kishore Inampudi
Format: Article
Language:English
Published: American Chemical Society 2025-08-01
Series:ACS Omega
Online Access:https://doi.org/10.1021/acsomega.5c01747
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author Rajkumar Kulandaisamy
Tushar Kushwaha
Manoj Kumar
Aparoy Polamarasetty
Saroj Kumar
Shivajirao L. Gholap
Mohan B Appaiahgari
Soumya De
Krishna Kishore Inampudi
author_facet Rajkumar Kulandaisamy
Tushar Kushwaha
Manoj Kumar
Aparoy Polamarasetty
Saroj Kumar
Shivajirao L. Gholap
Mohan B Appaiahgari
Soumya De
Krishna Kishore Inampudi
author_sort Rajkumar Kulandaisamy
collection DOAJ
format Article
id doaj-art-0cd2475eaeee4ca1b0722845ecf0eff7
institution Kabale University
issn 2470-1343
language English
publishDate 2025-08-01
publisher American Chemical Society
record_format Article
series ACS Omega
spelling doaj-art-0cd2475eaeee4ca1b0722845ecf0eff72025-08-26T08:05:13ZengAmerican Chemical SocietyACS Omega2470-13432025-08-011033371153712710.1021/acsomega.5c01747In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant TuberculosisRajkumar Kulandaisamy0Tushar Kushwaha1Manoj Kumar2Aparoy Polamarasetty3Saroj Kumar4Shivajirao L. Gholap5Mohan B Appaiahgari6Soumya De7Krishna Kishore Inampudi8Department of Biophysics, New Delhi, All India Institute of Medical Sciences, Delhi, IndiaDepartment of Biophysics, New Delhi, All India Institute of Medical Sciences, Delhi, IndiaDepartment of Biophysics, New Delhi, All India Institute of Medical Sciences, Delhi, IndiaFaculty of Biology, Indian Institute of Petroleum and Energy, Visakhapatnam, Andhra Pradesh, IndiaDepartment of Biophysics, New Delhi, All India Institute of Medical Sciences, Delhi, IndiaDepartment of Chemistry, New Delhi, Indian Institute of Technology-Delhi, Delhi, IndiaYenepoya (deemed to be) University, Virology Laboratory, Deralakatte, Mangalore, Karnataka, IndiaDepartment of Bioscience and Biotechnology, Indian Institute of Technology-Kharagpur, Kharagpur, West Bengal, IndiaDepartment of Biophysics, New Delhi, All India Institute of Medical Sciences, Delhi, Indiahttps://doi.org/10.1021/acsomega.5c01747
spellingShingle Rajkumar Kulandaisamy
Tushar Kushwaha
Manoj Kumar
Aparoy Polamarasetty
Saroj Kumar
Shivajirao L. Gholap
Mohan B Appaiahgari
Soumya De
Krishna Kishore Inampudi
In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant Tuberculosis
ACS Omega
title In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant Tuberculosis
title_full In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant Tuberculosis
title_fullStr In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant Tuberculosis
title_full_unstemmed In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant Tuberculosis
title_short In Silico Screening and Molecular Dynamics Simulations of Small Molecules Targeting Peptidyl tRNA Hydrolase for Drug-Resistant Tuberculosis
title_sort in silico screening and molecular dynamics simulations of small molecules targeting peptidyl trna hydrolase for drug resistant tuberculosis
url https://doi.org/10.1021/acsomega.5c01747
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