ArticleBulletin of the National Research Centre2022
In silico prediction and structure-based multitargeted molecular docking analysis of selected bioactive compounds against mucormycosis.
Article in Bulletin of the National Research Centre, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 26 citations in OpenAlex.
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- Structure-Guided Design of Novel Diarylpyrimidine-Based NNRTIs Through a Comprehensive In Silico Approach: 3D-QSAR, ADMET Evaluation, Molecular Docking, and Molecular Dynamics.Pharmaceuticals (Basel, Switzerland) · 2025Article
- In silico evaluation of Ocimum sanctum phytochemicals for diabetic foot ulcer therapy through docking, ADMET, DFT, and molecular dynamics.Scientific reports · 2025Article
- Neuroprotective Efficacy of Phytoconstituents of Methanolic Shoots Extract ofEndocrine, metabolic & immune disorders drug targets · 2025Article
- Hesperidin, a Potential Antiviral Agent against SARS-CoV-2: The Influence of Citrus Consumption on COVID-19 Incidence and Severity in China.Medicina (Kaunas, Lithuania) · 2024Review
- Combating Black Fungus: Using Allicin as a Potent Antifungal Agent against Mucorales.International journal of molecular sciences · 2023Article
- Synthesis of Pyrrolo[3,4-Pharmaceuticals (Basel, Switzerland) · 2023Article
- Potency of Xanthone Derivatives fromMolecules (Basel, Switzerland) · 2023Article
- Construction and validation of a multi-epitope in silico vaccine model for lymphatic filariasis by targetingBulletin of the National Research Centre · 2023Article
- Lipase-Catalyzed Synthesis, Antioxidant Activity, Antimicrobial Properties and Molecular Docking Studies of Butyl Dihydrocaffeate.Molecules (Basel, Switzerland) · 2022Article
- Computational study and design of effective siRNAs to silence structural proteins associated genes of Indian SARS-CoV-2 strains.Computational biology and chemistry · 2022Article
- In Silico Evaluation of Antifungal Compounds from Marine Sponges against COVID-19-Associated Mucormycosis.Marine drugs · 2022Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundDuring the second wave of the COVID-19 pandemic, an unusual increase in cases of mucormycosis was observed in India, owing to immunological dysregulation caused by the SARS-CoV-2 and the use of broad-spectrum antibiotics, particularly in patients with poorly controlled diabetes with ketoacidosis to have contributed to the rise, and it has been declared an epidemic in several states of India. Because of the black colouring of dead and dying tissue caused by the fungus, it was dubbed "black fungus" by several Indian media outlets. In this study, attempts were taken to unmask novel therapeutic options to treat mucormycosis disease.
resultsWe chose three important proteins from the
conclusionsIn summary, our investigation identified 12,28-Oxamanzamine A, vialinin B, deoxytopsentin, pramiconazole, saperconazole and hesperidin as potent bioactive compounds for treating mucormycosis that may be considered for further optimisation techniques and in vitro and in vivo studies. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s42269-022-00704-4.
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