ArticleJournal of molecular liquids2023
Multi-ligand molecular docking, simulation, free energy calculations and wavelet analysis of the synergistic effects between natural compounds baicalein and cubebin for the inhibition of the main protease of SARS-CoV-2.
Article in Journal of molecular liquids, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed, 38 citations in OpenAlex.
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- High-accuracy QSPR models for azeotropic property prediction of binary aromatic hydrocarbon mixtures: a genetic function approximation approach.Journal of molecular modeling · 2026Article
- Mustard derived compounds as insecticides and modulators of human metabolism.Scientific reports · 2026Article
- Discovery of an AKT1-targeting compound from a traditional herbal formula for alcoholic liver disease via integrative computational and experimental approaches.Chinese medicine · 2025Article
- Multi-Component Synthesis of New Fluorinated-Pyrrolo[3,4-International journal of molecular sciences · 2025Article
- Supercomputing Multi-Ligand Modeling, Simulation, Wavelet Analysis and Surface Plasmon Resonance to Develop Novel Combination Drugs: A Case Study of Arbidol and Baicalein Against Main Protease of SARS-CoV-2.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Moldina: a fast and accurate search algorithm for simultaneous docking of multiple ligands.Journal of cheminformatics · 2025Article
- Phytochemical and antibacterial properties of calyces Hibiscus sabdariffa L.: an in vitro and in silico multitarget-mediated antibacterial study.BMC complementary medicine and therapies · 2025Article
- ComprehensiveCurrent computer-aided drug design · 2025Article
- Ginsenoside Rk1 alleviates lipopolysaccharide (LPS)-induced cognitive impairment by modulating synaptic plasticity.Frontiers in pharmacology · 2025Article
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- Innovative Approaches in Molecular Docking for the Discovery of Novel Inhibitors Against Alzheimer's Disease.Current Alzheimer research · 2025Review
- Berberine modulates cardiovascular diseases as a multitarget-mediated alkaloid with insights into its downstream signals usingSaudi journal of biological sciences · 2024Article
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- Identification of inhibitors from a functional food-based plant Perillae Folium against hyperuricemia via metabolomics profiling, network pharmacology and all-atom molecular dynamics simulations.Frontiers in endocrinology · 2024Article
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- Potential candidates from a functional foodFrontiers in endocrinology · 2024Article
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Corrections and comments
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Authors and funding
10 authors at 4 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Combination drugs have been used for several diseases for many years since they produce better therapeutic effects. However, it is still a challenge to discover candidates to form a combination drug. This study aimed to investigate whether using a comprehensive in silico approach to identify novel combination drugs from a Chinese herbal formula is an appropriate and creative strategy. We, therefore, used Toujie Quwen Granules for the main protease (M
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.