Curative anti-typhoid effect of Detarium microcarpum Guill. &amp; Perr. (Leguminosae) hydroethanolic extract root bark based-on in vivo and molecular docking analyses

Mbock, Michel Arnaud; Kamkumo, Raceline Gounoue; Shukla, Rohit; Fouatio, William Feudjou; Fokou, Patrick Valère Tsouh; Tsofack, Florence Ngueguim; Djouwoug, Clarice Noussi; Fifen, Rodrigue; Nkengfack, Augustin Ephrem; Singh, Tiratha Raj; Ndjakou, Bruno Lenta; Sewald, Norbert; Boyom, Fabrice Fekam; Ngang, Jean Justin Essia; Boyomo, Onana; Dimo, Théophile

doi:10.1016/j.jep.2023.116209

Cited by 2 publications

(1 citation statement)

References 26 publications

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“…Computer-aided drug design (CADD) is a useful tool to check the efficacy of the active ingredients of essential oils against harmful pathogens and for the selection of appropriate oil, to save the time/ laborious experimentations and resources. CADD techniques such as in silico molecular docking can virtually analyze binding efficacy of the ligand molecule (active components of essential oil) against target compound (protein compound of an organism 15,16 .…”

Section: Safe Water and Sustainable Technology Initiative From Indian...mentioning

confidence: 99%

Molecular Docking Analysis for Evaluating the Efficacy of Active Components of Essential Oils against Water-Borne Multi-Virulent Bacteria and Virus

Balapure,

Bhandari

2024

J. ISAS

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Traditional Indian knowledge of Ayurveda mentions a large number of essential oils that contain many active compounds such as thymol, eugenol and cinnamaldehyde etc. which contemplate nontoxic for human being and have been used mostly in the field of medicine. An application of essential oils comprising antimicrobial activities was recently described in the SWASTIIK technology (Safe Water and Sustainable Technology Initiative from Indian Knowledgebase) in conjunction with cavitation/ intense mixing for drinking water treatment. Further, it is intended to demonstrate the efficacy of SWASTIIK technology to combat multi virulent bacteria and emerging viruses such as Escherichia coli and SARS-CoV-2 (Severe Acute Respiratory Syndrome Coronavirus-2) respectively with the help of in silico computational tools. Docking study indicated eugenol and thymol were the most effective ligands against the microorganisms, although SARS-CoV-2 performed better with a low binding affinity (-7.2 kcal/mol) than multi-virulent E. coli (-4.5 kcal/mol). SWASTIIK technology for eliminating harmful microorganisms is, therefore, expected to be more effective in combating viruses, including SARS-CoV-2. Further, favorable ADMET results suggest suitability of the active components for further clinical trials study or for possible health benefits of water treated using SWASTIIK technology. In view of lack of human studies, to evaluate the effectiveness and safety of essential oils for direct intake, clinical trials with more well-designed protocols are needed.

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Section: Safe Water and Sustainable Technology Initiative From Indian...mentioning

confidence: 99%

Molecular Docking Analysis for Evaluating the Efficacy of Active Components of Essential Oils against Water-Borne Multi-Virulent Bacteria and Virus

Balapure,

Bhandari

2024

J. ISAS

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Unpredictable chronic mild stress induced anxio-depressive disorders and enterobacteria dysbiosis: Potential protective effects of Detarium microcarpum

Tchinda Defo,

Moussa,

Bouvourné

et al. 2025

Journal of Ethnopharmacology

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Curative anti-typhoid effect of Detarium microcarpum Guill. & Perr. (Leguminosae) hydroethanolic extract root bark based-on in vivo and molecular docking analyses

Cited by 2 publications

References 26 publications

Molecular Docking Analysis for Evaluating the Efficacy of Active Components of Essential Oils against Water-Borne Multi-Virulent Bacteria and Virus

Molecular Docking Analysis for Evaluating the Efficacy of Active Components of Essential Oils against Water-Borne Multi-Virulent Bacteria and Virus

Unpredictable chronic mild stress induced anxio-depressive disorders and enterobacteria dysbiosis: Potential protective effects of Detarium microcarpum

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