The genus Leucas: A review on phytochemistry and pharmacological activities

Kumar, Sachin; Mittal, Amit; Kharkwal, Harsha; Jain, Shreyans K.; Goel, Bharat

doi:10.1016/j.fitote.2023.105492

Cited by 4 publications

(1 citation statement)

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“…Based on published literatures, 41 phytoconstituents of L. aspera are obtained [19][20][21][22][23][24][25][26][27]. The structural data, molecular formula, and other needed data of these phytocompounds are retrieved from PubChem database in structure data format (SDF) (Table 3).…”

Section: Retrieval Of Phytocompounds Of L Asperamentioning

confidence: 99%

Phytochemical inhibitors from Leucas aspera against the target proteins induced by Trichophyton mentagrophytes using computational techniques

Giri,

Parida

2024

J Basic Microbiol

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Dermatophytosis is a cutaneous infection that is able to degrade the keratinized tissues of the animal/human body, like skin, nails, and hair, causing chronic or subacute infection with the contact of some specific fungal strains. Trichophyton mentagrophytes are the most potential fungal pathogen causing dermatophytoses. The present study focuses on computationally based in silico antifungal activity of selected phytocompounds of Leucas aspera (Willd.) Link. against dermatophytic fungus, T. mentagrophytes. Validation and screening of derived phytocompounds is performed using Lipinski rule of five and toxicity test through Protox‐II. Five target genes involved in dermatophytosis, induced by T. mentagrophytes are retrieved from the UniProt Database, and the corresponding proteins such as glucan 1,3‐beta‐glucosidase ARB_02797, Probable class II chitinase ARB_00204, squalene monooxygenase, actin, and ubiquitin are selected for in silico study. Three‐dimensional structures of the target protein were computationally determined and validated through modeling tools and techniques due to the lack of validated protein structures in the database. Then, these proteins are used for in silico molecular docking through the AutoDock Vina tool to find out the promising phytocompounds. This study could be utilized in designing more effective drugs against T. mentagrophytes. Based on this work, a plant‐based natural alternative can be added to the treatment of dermatophytosis rather than synthetic supplements.

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