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Designing combinational herbal drugs based on target space analysis.
Assefa Mussa Woyessa1,2, Lemessa Etana Bultum2,3, Doheon Lee4,5
1Department of Bio and Brain Engineering, Korea Advanced Institute of Science and Technology, Daejeon, 34141, South Korea.
BMC Complementary Medicine and Therapies
|May 1, 2024
Summary
Traditional Oriental Medicine (TOM) formulas show significant target overlap with pharmaceutical drugs for treating the same diseases. This research validates TOM efficacy and offers insights into managing side effects from conventional treatments.
Area of Science:
- Pharmacology
- Computational Biology
- Integrative Medicine
Background:
- Traditional Oriental Medicines (TOMs) offer alternative therapeutic philosophies compared to conventional pharmaceuticals.
- This study integrates TOM formulas with pharmaceutical drug data for comparative target space analysis.
- 46 TOM formulas for Anxiety, Diabetes, Epilepsy, Hypertension, Obesity, and Schizophrenia were curated.
Purpose of the Study:
- To provide scientific evidence for the effectiveness of TOM formulas in treating primary indications.
- To analyze target space overlap between TOM formulas and small-molecule drugs.
- To evaluate the potential of TOMs in managing side effects associated with pharmaceutical drugs.
Main Methods:
- Manual curation of 46 TOM formulas and associated disease treatments.
- Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) property analysis to filter toxic herbal ingredients.
- Target space analysis comparing TOM formulas and small-molecule drugs for same and different disease treatments.
- Statistical validation using support value and random target space distribution.
- Evaluation using the Si-Wu-Tang (SWT) formula and existing literature.
Main Results:
- Significant target space overlap observed between TOM formulas and small-molecule drugs treating the same diseases (e.g., Epilepsy: support value 0.84).
- Overlapped target counts were substantially higher for same-disease treatments compared to randomly selected target spaces.
- Scientific literature supported the medicinal efficacy of individual herbs within the analyzed TOM formulas.
Conclusions:
- Target space analysis provides evidence for the effectiveness of TOM formulas in treating primary indications.
- This approach demonstrates the potential of TOMs to address side effects linked to pharmaceutical drug use.
- The study supports the integration of TOMs and pharmaceutical drugs for comprehensive patient care.
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