Study on the Appropriate Application of Traditional Chinese Medicine Formulas in Integrated Traditional Chinese and Western Medicine Diagnosis and Treatment Scenarios-Taking Common Chronic Diseases (Hypertension/Diabetes/Chronic Gastritis) as an Example

Abstract

Objective: Based on a big data set of 84,294 traditional Chinese medicine (TCM) prescriptions, a

four-dimensional matching model (Fitting Model, FM) integrating "syndrome type-target

point-functionality-ingredient" was constructed. The matching degree was quantitatively calculated

to elucidate the precise matching patterns of TCM prescriptions for hypertension, diabetes, and

chronic gastritis, thereby providing mechanistic and verifiable protocols for integrated traditional

Chinese and Western medicine clinical medication.

Methods: 1. Data standardization: The efficacy of herbal formulas (69,407 unique values) was classified

into 12 major categories according to the "Comprehensive Dictionary of Chinese Herbal Formulas".

Active ingredients F = α × J + β × R + γ × SJRSα/β/γwere extracted from the TCMSP database

by associating drug components, while Western drug targets were determined by referencing DrugBank.

1. Model construction: A fitness score formula was proposed (where represents the matching degree

of syndrome type, represents the synergy degree of target, represents the mitigation degree of side

effects, and represents the weight coefficient, calibrated to 0.35/0.40/0.25 via AHP hierarchical

analysis method). 3. Screening and validation: Suitable herbal formulas were screened using the FM

model, and the binding energy between drug components and targets was validated through molecular

docking (AutoDock Vina). The risk of combination therapy was quantified by incorporating the

"Precautions" field from the database.

Results: A total of 328 high- F ≥ 8.0F均值 = 8.6F均值 = 8.4F均值 = 8.71RriskRrisk ≥ 8.0 adaptability

formulations were screened, including 96 for hypertension, 112 for diabetes, and 120 for chronic

gastritis. Molecular docking validation demonstrated that the binding energies of core drug

components to targets were all <-5.0 kcal/mol (e.g., Uncaria rhynchophylla isuncaria alkaloid-CACNA1C:

-7.2 kcal/mol). The combination risk scoring indicated that high-risk combinations accounted for only

4.2%, with clear avoidance strategies available for all.

Conclusion: The FM model can effectively quantify the compatibility of traditional Chinese medicine

(TCM) formulations. High-compatibility formulations achieve synergy with Western medicines through

"strong component-target binding" and "precise efficacy-side effect matching", providing verifiable

scientific evidence for the integrated diagnosis and treatment of three chronic diseases using TCM

and Western medicine.