PPI networking, in-vitro expression analysis, virtual screening, DFT, and molecular dynamics for identifying natural TNF-α inhibitors for rheumatoid arthritis.

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Title: PPI networking, in-vitro expression analysis, virtual screening, DFT, and molecular dynamics for identifying natural TNF-α inhibitors for rheumatoid arthritis.
Authors: Velmurugan Y; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, Tamil Nadu, 600025, India., Chakkarapani N; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, Tamil Nadu, 600025, India., Natarajan SR; Department of Biochemistry, Centre of Molecular Medicine and Diagnostics (COMManD), Saveetha Dental College & Hospitals, Saveetha Institute of Medical & Technical Sciences, Chennai, Tamil Nadu, 600 077, India., Jayaraman S; Department of Biochemistry, Centre of Molecular Medicine and Diagnostics (COMManD), Saveetha Dental College & Hospitals, Saveetha Institute of Medical & Technical Sciences, Chennai, Tamil Nadu, 600 077, India., Madhukar H; Department of Chemistry, Mother Teresa Women's University, Kodaikanal, Tamil Nadu, 624102, India., Venkatachalam R; Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, Tamil Nadu, 600025, India. rajakannanvenkatachalamyv@gmail.com.
Source: Molecular diversity [Mol Divers] 2026 Feb; Vol. 30 (1), pp. 633-652. Date of Electronic Publication: 2025 Apr 19.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
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ISSN:1573-501X
DOI:10.1007/s11030-025-11158-x