Ursolic Acid and Solasodine as Potent Anti-Mycobacterial Agents for Combating Paratuberculosis : An Anti-Inflammatory and In Silico Analysis

subspecies (MAP) infection in domestic livestock causes persistent diarrhea, weight loss, and death and is also a potential cause of Crohn's disease (CD) in humans; notably, treatments against MAP are insufficient, costly, and can cause adverse reactions. Hence, plant-derived bioactive constitu...

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Published in:Molecules (Basel, Switzerland) Switzerland), 2022-12, Vol.28 (1), p.274
Main Authors: Navabharath, Manthena, Srivastava, Varsha, Gupta, Saurabh, Singh, Shoor Vir, Ahmad, Sayeed
Format: Article
Language:English
Subjects:
Amino acids
Animals
Anti-Bacterial Agents - pharmacology
Anti-Bacterial Agents - therapeutic use
Anti-Inflammatory Agents - therapeutic use
Antibiotics
Biological activity
Chronic illnesses
Coenzyme A
Constituents
Crohn's disease
Dephospho-Coenzyme A kinase (DPCK) protein
Diarrhea
Disease
Humans
Hydrogen bonds
in silico
Infections
Inflammatory bowel diseases
Kinases
Ligands
Livestock
Metabolism
Milk
Molecular weight
Mycobacterium avium subsp. paratuberculosis
Mycobacterium avium subspecies paratuberculosis (MAP)
Paratuberculosis
Paratuberculosis - drug therapy
Paratuberculosis - microbiology
Plants
Proteins
R&D
REMA assay
Research & development
solasodine
Tuberculosis
Ursolic Acid
Weight loss
Zoonoses
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Summary:subspecies (MAP) infection in domestic livestock causes persistent diarrhea, weight loss, and death and is also a potential cause of Crohn's disease (CD) in humans; notably, treatments against MAP are insufficient, costly, and can cause adverse reactions. Hence, plant-derived bioactive constituents have been taken into consideration in this regard. Herein, we present the results of two bioactive constituents (Solasodine and Ursolic acid) that were evaluated for their safety and efficacy against MAP protein (Dephospho-Coenzyme A kinase (DPCK) by utilizing in vitro assays and different tools of in silico biology. The ADME/ -test, the drug-likeness property test, pharmacophore modelling, and PASS prediction have proven that both the constituents have better binding capacities than the available antibiotic drugs used to target protein inhibition pathways. Through our observations, it can be inferred that these two phytochemicals can be adequately used to treat thereby combating inflammatory bowel disorders (IBD) of an autoimmune nature.
ISSN:1420-3049
1420-3049
DOI:10.3390/molecules28010274