Scientific Mapping of Molecular Docking Research in Dentistry: A Bibliometric Study

Mehmet Veysel Kotanlı; Mehmet Sinan Doğan

doi:10.5281/zenodo.22901140

Authors

Mehmet Veysel Kotanlı Harran Üniversitesi https://orcid.org/0000-0001-7032-4367
Mehmet Sinan Doğan Harran Üniversitesi https://orcid.org/0000-0002-3089-1305

DOI:

https://doi.org/10.5281/zenodo.22901140

Keywords:

Molecular docking, Dentistry, Bibliometric analysis, In silico, Dental biomaterials

Abstract

Objective: Molecular docking is a computer-aided computational method used to predict the interactions of ligands with target biomacromolecules, and its application in dentistry has grown considerably in recent years. This bibliometric study aims to comprehensively evaluate the scientific literature on molecular docking applications in dentistry; to the best of our knowledge, it represents the first bibliometric analysis in this field.

Materials and Methods: A search was conducted in the Web of Science (WoS) Core Collection database, restricted to the "Dentistry, Oral Surgery & Medicine" category, using the keywords "Molecular Docking," "Docking," "In Silico," combined with "Dental" and "Dentistry." Data were collected on 17 March 2026, and 34 publications from 1981–2025 (excluding 2026 due to incomplete indexing) were included in the analysis. Publication, citation, collaboration, and keyword networks were examined using Bibliometrix/Biblioshiny (R) and VOSviewer software.

Results: The first publication appeared in 2002 as a conference abstract, with a marked increase observed after 2021; 2025 alone accounted for approximately 32% of all publications. Indonesia and India emerged as the most productive countries, while Kharisma VD and Nugraha AP were the most prolific authors (six publications each). The most active journal was the Journal of Pharmacy & Pharmacognosy Research (5 publications), with the literature spread across 19 different journals in total. Studies focusing on the optimization of dental biomaterials generated the highest citation impact.

Discussion and Conclusion: The molecular docking literature in dentistry has entered a phase of rapid growth and maturation, particularly since 2021. The field is increasingly forming a central research foundation around topics such as biomaterial optimization, antibacterial agent screening, and the evaluation of natural compounds, with AI-assisted docking approaches expected to further enhance its impact in the future.

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