Docking scores and other energy parameters of selected phytochemicals for C. jejuni targeting inosine-5’-monophosphate dehydrogenase (IMPDH).
| S. No. | Phytoconstituents | Glide docking score (kcal/mol) | Glide energy (kcal/mol) | Glide eModel (kcal/mol) |
|---|---|---|---|---|
| 1. | Amaroswerin | –8.612 | –65.739 | –95.867 |
| 2. | Eriocitrin | –8.488 | –66.644 | –91.809 |
| 3. | Peganine | –7.999 | –32.527 | –50.657 |
| 4. | Afzelechin | –7.739 | –33.513 | –49.204 |
| 5. | Amarogentin | –7.635 | –39.897 | –57.791 |
| 6. | Naringenin | –7.619 | –61.57 | –83.247 |
The supplementary tables for this article are available at: https://www.explorationpub.com/uploads/Article/file/1010196_sup_1.pdf.
Rengarajan Murugesan sincerely thanks the management of Rajagiri College of Social Sciences for providing the opportunity and necessary support to prepare the manuscript. The author(s) declared that generative AI was used in the creation of this manuscript. During manuscript preparation, the authors used Grammarly Premium to correct language errors. This AI-assisted tool checked spelling, grammar, punctuation, clarity, and plagiarism, suggesting corrections where needed. This collaboration enhanced the manuscript’s quality by combining human expertise with AI efficiency, and Turnitin was used to detect plagiarism and AI-generated content.
RM: Methodology, Investigation, Project administration, Supervision, Data curation, Validation, Writing—original draft, Writing—review & editing. KK: Conceptualization, Data curation, Formal analysis. RP: Investigation, Methodology, Software, Writing—review & editing. SJ: Conceptualization, Project administration. KD: Resources, Validation. BK: Visualization, Writing—review & editing. SAC: Data curation, Formal analysis, Software. SP: Methodology, Investigation, Project administration, Supervision, Data curation, Validation, Writing—original draft, Writing—review & editing. SS: Validation, Visualization, Writing—original draft, Writing—review & editing. All authors read and approved the submitted version.
The authors declare no conflicts of interest.
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The data supporting the findings of this study are available within the article and its Supporting Information. Additional datasets generated during the current study are available from the corresponding author upon reasonable request.
This work was financially supported by Rajagiri College of Social Sciences (Autonomous), Kerala, India, under Seed Money/Faculty Minor Research (Grant No. RCSS/IQAC/BB-S74/2026/174). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.
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