In-silico screening of Lavandula angustifolia L. to relieve migraine: A drug repurposing

This study aimed to predict the molecular docking study of inhibition of the most targeted genes of migraine headache by finding the effective or natural ligands derived from lavender (Lavandula angustifolia L.). Subsequently we did screening of several compounds having anti- inflammatory, antiseptic and anti-action using different in-silico approaches (Lipinski rule of five, made analysis and molecular docking tools). We found potent ligands against migraine headache and recommend that natural compounds of lavender are intense inhibitors against the migraine headache.

Authors

Publication Details

Journal
Allelopathy Journal
Published
2026-01-01
DOI
https://doi.org/10.26651/allelo.j/2026-67-2-217-228
Primary Topic
Medicinal Plant Extracts Effects
Type
article
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article

In-silico screening of Lavandula angustifolia L. to relieve migraine: A drug repurposing

R.K. Mishra, Divyanshi Singhal
Allelopathy Journal
Medicinal Plant Extracts Effects
article

In-silico screening of Lavandula angustifolia L. to relieve migraine: A drug repurposing

R.K. Mishra, Divyanshi Singhal
article en

Abstract

This study aimed to predict the molecular docking study of inhibition of the most targeted genes of migraine headache by finding the effective or natural ligands derived from lavender (Lavandula angustifolia L.). Subsequently we did screening of several compounds having anti- inflammatory, antiseptic and anti-action using different in-silico approaches (Lipinski rule of five, made analysis and molecular docking tools). We found potent ligands against migraine headache and recommend that natural compounds of lavender are intense inhibitors against the migraine headache.

Allelopathy JournalVol. 67(2)
Openalex Percentile: Top 3%
Medicinal Plant Extracts Effects
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In-silico screening of Lavandula angustifolia L. to relieve migraine: A drug repurposing — R.K. Mishra, Divyanshi Singhal · Allelopathy Journal (2026) | TGRS Research Map | TGRS