Understanding the action of bamocaftor as a potential drug candidate against Cystic Fibrosis Transmembrane Regulator protein: A computational approach

Naisarg Patel; Samrat Sarkar; Bala Murali V M; Ishan Kashyap; Premkumar Thiruselvam; Vino Sundararajan; Sajitha Lulu Sudhakaran

doi:10.1371/journal.pone.0328051

Loading metrics

Open Access

Peer-reviewed

Research Article

Understanding the action of bamocaftor as a potential drug candidate against Cystic Fibrosis Transmembrane Regulator protein: A computational approach

Naisarg Patel,

Roles Data curation, Formal analysis, Software, Writing – original draft, Writing – review & editing

Affiliation Integrative Multiomics Lab, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India

https://orcid.org/0009-0000-6473-9224

⨯
Samrat Sarkar,

Roles Data curation, Formal analysis, Writing – original draft

Affiliation Integrative Multiomics Lab, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India
⨯
Bala Murali V M,

Roles Data curation, Formal analysis, Software

Affiliation Integrative Multiomics Lab, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India

https://orcid.org/0009-0003-1151-9721

⨯
Ishan Kashyap,

Roles Data curation, Formal analysis, Software

Affiliation Integrative Multiomics Lab, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India
⨯
Premkumar Thiruselvam,

Roles Data curation, Formal analysis, Software, Writing – original draft

Affiliation Integrative Multiomics Lab, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India
⨯
Vino Sundararajan,

Roles Conceptualization, Investigation, Resources, Supervision, Writing – review & editing

Affiliation Integrative Multiomics Lab, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India
⨯
Sajitha Lulu Sudhakaran

Roles Conceptualization, Investigation, Methodology, Supervision, Validation, Writing – review & editing

* E-mail: ssajithalulu@vit.ac.in

Affiliation Integrative Multiomics Lab, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India

https://orcid.org/0000-0002-3392-4168

⨯

Understanding the action of bamocaftor as a potential drug candidate against Cystic Fibrosis Transmembrane Regulator protein: A computational approach

Naisarg Patel,
Samrat Sarkar,
Bala Murali V M,
Ishan Kashyap,
Premkumar Thiruselvam,
Vino Sundararajan,
Sajitha Lulu Sudhakaran

Published: July 23, 2025
https://doi.org/10.1371/journal.pone.0328051

Reader Comments (0)

Post a new comment on this article

Subject Areas
?

For more information about PLOS Subject Areas, click here.
We want your feedback. Do these Subject Areas make sense for this article? Click the target next to the incorrect Subject Area and let us know. Thanks for your help!

Cystic fibrosis
Is the Subject Area "Cystic fibrosis" applicable to this article?

Thanks for your feedback.
Biochemical simulations
Is the Subject Area "Biochemical simulations" applicable to this article?

Thanks for your feedback.
Molecular dynamics
Is the Subject Area "Molecular dynamics" applicable to this article?

Thanks for your feedback.
Hydrogen bonding
Is the Subject Area "Hydrogen bonding" applicable to this article?

Thanks for your feedback.
Free energy
Is the Subject Area "Free energy" applicable to this article?

Thanks for your feedback.
Principal component analysis
Is the Subject Area "Principal component analysis" applicable to this article?

Thanks for your feedback.
Molecular docking
Is the Subject Area "Molecular docking" applicable to this article?

Thanks for your feedback.
Drug therapy
Is the Subject Area "Drug therapy" applicable to this article?

Thanks for your feedback.