ArticleComputational toxicology (Amsterdam, Netherlands)2022
Potential inhibitory activity of phytoconstituents against black fungus:
Article in Computational toxicology (Amsterdam, Netherlands), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 56 citations in OpenAlex.
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- Integrative network pharmacology and experimental validation reveal emodin derivatives as potential therapeutics for hepatocellular carcinoma.Journal of the Egyptian National Cancer Institute · 2025Article
- Targeting SLC4A4: A Novel Approach in Colorectal Cancer Drug Repurposing.Current issues in molecular biology · 2025Article
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- Discovery of Novel Coumarin-Schiff Base Hybrids as Potential Acetylcholinesterase Inhibitors: Design, Synthesis, Enzyme Inhibition, and Computational Studies.Pharmaceuticals (Basel, Switzerland) · 2023Article
- Progress of Molecular Display Technology UsingMicroorganisms · 2023Review
- Antifungal and Immunomodulatory Ingredients from Traditional Chinese Medicine.Antibiotics (Basel, Switzerland) · 2022Review
Corrections and comments
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Authors and funding
9 authors at 7 institutions in 3 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Mucormycosis or "black fungus" has been currently observed in India, as a secondary infection in COVID-19 infected patients in the post-COVID-stage. Fungus is an uncommon opportunistic infection that affects people who have a weak immune system. In this study, 158 antifungal phytochemicals were screened using molecular docking against glucoamylase enzyme of Rhizopus oryzae to identify potential inhibitors. The docking scores of the selected phytochemicals were compared with Isomaltotriose as a positive control. Most of the compounds showed lower binding energy values than Isomaltotriose (-6.4 kcal/mol). Computational studies also revealed the strongest binding affinity of the screened phytochemicals was Dioscin (-9.4 kcal/mol). Furthermore, the binding interactions of the top ten potential phytochemicals were elucidated and further analyzed.
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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.