Literature-based drug–drug similarity for drug repurposing: impact of Medical Subject Headings term refinement and hierarchical clustering

We describe herein, an improved procedure for drug repurposing based on refined Medical Subject Headings (MeSH) terms and hierarchical clustering method. In the present study, we have employed MeSH data from MEDLINE (2019), 1669 US FDA approved drugs from Open FDA and a refined set of MeSH terms. Re...

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Published inFuture medicinal chemistry Vol. 14; no. 18; pp. 1309 - 1323
Main Authors Das, Shyam Sundar, Ranjan, Pritish, Kunnakkattu, Ibrahim Roshan
Format Journal Article
LanguageEnglish
Published Newlands Press Ltd 01.09.2022
Subjects
drug repurposing
hierarchical clustering
K-means clustering
literature-based similarity
Medical Subject Headings
MeSH
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Summary:We describe herein, an improved procedure for drug repurposing based on refined Medical Subject Headings (MeSH) terms and hierarchical clustering method. In the present study, we have employed MeSH data from MEDLINE (2019), 1669 US FDA approved drugs from Open FDA and a refined set of MeSH terms. Refinement of MeSH terms was performed to include terms related to mechanistic information of drugs and diseases. In-depth analysis of the results obtained, demonstrated greater efficiency of the proposed approach, based on refined MeSH terms and hierarchical clustering, in terms of number of selected drug candidates for repurposing. Further, analysis of misclustering and size of noise clusters suggest that the proposed approach is reliable and can be employed in drug repurposing.
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ISSN:1756-8919
1756-8927
1756-8927
DOI:10.4155/fmc-2022-0074