ArticleCurrent medical mycology2017
Phytochemical analysis and docking study of compounds present in a polyherbal preparation used in the treatment of dermatophytosis.
Article in Current medical mycology, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 22 citations in OpenAlex.
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- Thymoquinone' potent impairment of multidrug-resistant Staphylococcus aureus NorA efflux pump activity.Scientific reports · 2024Article
- Tinea pedis: an updated review.Drugs in context · 2023Review
- Piperine, an alkaloid of black pepper seeds can effectively inhibit the antiviral enzymes of Dengue and Ebola viruses, an in silico molecular docking study.Virusdisease · 2020Article
- Computational Approaches in Preclinical Studies on Drug Discovery and Development.Frontiers in chemistry · 2020Review
- Evaluation of Anti-Inflammatory Properties of Herbal Aqueous Extracts and Their Chemical Characterization.Journal of medicinal food · 2019Article
- Prediction Methods of Herbal Compounds in Chinese Medicinal Herbs.Molecules (Basel, Switzerland) · 2018Review
- Erratum for Nagesh et al., phytochemical analysis and docking study of compounds present in a polyherbal preparation used in the treatment of dermatophytosis.Current medical mycology · 2018Article
Corrections and comments
- Erratum issued
Authors and funding
4 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
background and purposeSoleshine is a polyherbal preparation established in the market for the treatment of cracks and tinea pedis, which is applied externally. This preparation is composed of the extracts of indigenous plants, namely MATERIALS AND
methodsThe active ingredients of polyherbal preparation were identified with the aid of gas chromatography-mass spectrometry (GC-MS). Two major compounds were selected based on the retention time and percentage of the area covered in the graph for docking study. The three-dimensional structures of 1,3-β-glucan synthase, chitinase, fungalysin, and lumazine synthase were derived by homology modelling using MODELLER software, version 9.0. The docking of the ligand and receptor was performed using iGEMDOCK and AutodockVina software. The physicochemical properties, lipophilicity, hydrophilicity, and drug likeness properties were obtained from the Swiss ADME online server tool.
resultsThe GC-MS analysis demonstrated the presence of different phytochemical compounds in the extract of polyherbal preparation. A total of 20 compounds were identified, among which 3,7-dimethyl-2,6-octadienaland 2-pentene-2-methyl were the major compounds. Regarding 3,7-dimethyl-2,6-octadienal, the covered area and height were 40.15% and 46.17%, respectively. These values were 31.90% and 23.33% for 2-pentene-2-methyl, respectively. These two major compounds had an excellent binding affinity and obeyed the rules for the drug likeness and lead likeness.
conclusionAs the findings indicated, the two major ingredients present in soleshine showed a good antifungal activity as they inhibited the enzymes responsible for the survival of fungal organism; furthermore, they were appropriate for the lead molecules.
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