In vitro Aspergillosis and Mucormycosis inhibitory activity determination of essential oil of Melaleuca alternifolia: Insights from molecular docking of principal bioactive components, ADMET, PASS and wet lab validation DOI

Amrita Chuhan,

Arun Dev Sharma

Deleted Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 1, 2024

Melaleuca alternifolia essential oil (TEO) is utilized as an alternative and traditional medicine all over the world because it has a wide range of pharmacological biological properties, including anti-bacterial, antioxidant, anti-inflammatory, anti-cancer, anti-diabetic, immune-stimulant properties. This study intends to identify numerous bioactive phytocomponents profile TEO's aromatic composition. In order create drugs against aspergillosis mucormycosis, significant components from TEO were molecularly docked fungal enzymes implicated in riboflavin manufacturing pathway cell wall formation. The antifungal potential was finally determined by vitro validation. toxicity drug-likeness constituents also determined. A molecular docking investigation majority predominant phytochemicals showed that compounds are actively bound targets involved production creation enzymes' walls. Every single ligand followed Lipinski criteria had sufficient bioactivity. Three fungus strains, Aspergillus fumigatus, flavus, Mucor indicus, successful obtaining wet-lab confirmation. According wet lab studies, effective anti-fungal since able stop development fungi cause mucormycosis. These findings indicate oil's replace synthetic fungicides with its fungicidal

Language: Английский

Unlocking the therapeutic potential of phytocompounds from essential oils of Melaleuca alternifolia and Rosmarinus officinalis targeting bacterial penicillin-binding proteins by computational and experimental validation DOI Creative Commons
Amrita Chauhan,

Arun Dev Sharma

Discover Chemistry., Journal Year: 2025, Volume and Issue: 2(1)

Published: March 5, 2025

Language: Английский

Citations

0
Insights into insecticidal efficacy of Cymbopogon essential oils against Callosobruchus chinensis: An integrated approach through bioassays and in-silico molecular docking for sustainable pest management DOI
Manali Hazarika,

P. D. Nath,

Twahira Begum

et al.

Journal of Stored Products Research, Journal Year: 2025, Volume and Issue: 112, P. 102655 - 102655

Published: April 15, 2025

Language: Английский

Citations

0
A rapid chemical method for production of xylitol from D-xylose as a renewable feedstock from spent aromatic waste DOI

Jyoti Jyoti,

Pratibha Dwivedi,

Pooja Negi

et al.

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 497, P. 154766 - 154766

Published: Aug. 11, 2024

Language: Английский

Citations

2
Comprehensive Review on the Virulence Factors and Therapeutic Strategies with the Aid of Artificial Intelligence against Mucormycosis DOI

Mansi Tanwar,

Anamika Singh, T.P. Singh

et al.

ACS Infectious Diseases, Journal Year: 2024, Volume and Issue: 10(5), P. 1431 - 1457

Published: April 29, 2024

Mucormycosis, a rare but deadly fungal infection, was an epidemic during the COVID-19 pandemic. The rise in cases (COVID-19-associated mucormycosis, CAM) is attributed to excessive steroid and antibiotic use, poor hospital hygiene, crowded settings. Major contributing factors include diabetes weakened immune systems. main manifesting forms of CAM─cutaneous, pulmonary, deadliest, rhinocerebral─and disseminated infections elevated mortality rates 85%. Recent focus lies on small-molecule inhibitors due their advantages over standard treatments like surgery liposomal amphotericin B (which carry several long-term adverse effects), offering potential central nervous system penetration, diverse targets, simpler dosing owing small size, rendering ability traverse blood–brain barrier via passive diffusion facilitated by phospholipid membrane. Adaptation versatility mucormycosis are multitude virulence factors, enabling pathogen dynamically respond various environmental stressors. A comprehensive understanding these mechanisms imperative for devising effective therapeutic interventions against this highly opportunistic that thrives immunocompromised individuals through its angio-invasive nature. Hence, Review delineates principal it employs persist challenging host environments, current progress developing them.

Language: Английский

Citations

1
A Rapid Chemical Method for Production of Xylitol from D-Xylose as a Renewable Feedstock from Spent Aromatic Waste DOI

Jyoti no name,

Pratibha Dwivedi,

Pooja Negi

et al.

Published: Jan. 1, 2024

Download This Paper Open PDF in Browser Add to My Library Share: Permalink Using these links will ensure access this page indefinitely Copy URL DOI

Language: Английский

Citations

0
In vitro Aspergillosis and Mucormycosis inhibitory activity determination of essential oil of Melaleuca alternifolia: Insights from molecular docking of principal bioactive components, ADMET, PASS and wet lab validation DOI

Amrita Chuhan,

Arun Dev Sharma

Deleted Journal, Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 1, 2024

Melaleuca alternifolia essential oil (TEO) is utilized as an alternative and traditional medicine all over the world because it has a wide range of pharmacological biological properties, including anti-bacterial, antioxidant, anti-inflammatory, anti-cancer, anti-diabetic, immune-stimulant properties. This study intends to identify numerous bioactive phytocomponents profile TEO's aromatic composition. In order create drugs against aspergillosis mucormycosis, significant components from TEO were molecularly docked fungal enzymes implicated in riboflavin manufacturing pathway cell wall formation. The antifungal potential was finally determined by vitro validation. toxicity drug-likeness constituents also determined. A molecular docking investigation majority predominant phytochemicals showed that compounds are actively bound targets involved production creation enzymes' walls. Every single ligand followed Lipinski criteria had sufficient bioactivity. Three fungus strains, Aspergillus fumigatus, flavus, Mucor indicus, successful obtaining wet-lab confirmation. According wet lab studies, effective anti-fungal since able stop development fungi cause mucormycosis. These findings indicate oil's replace synthetic fungicides with its fungicidal

Language: Английский

Citations

0