Ursolic Acid and Solasodine as Potent Anti-Mycobacterial Agents for Combating Paratuberculosis : An Anti-Inflammatory and In Silico Analysis.
Manthena NavabharathVarsha SrivastavaSaurabh GuptaShoor Vir SinghSayeed AhmadPublished in: Molecules (Basel, Switzerland) (2022)
Mycobacterium avium subspecies paratuberculosis (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/ t -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 paratuberculosis, thereby combating inflammatory bowel disorders (IBD) of an autoimmune nature.
Keyphrases
- molecular docking
- weight loss
- mycobacterium tuberculosis
- anti inflammatory
- high density
- binding protein
- protein protein
- essential oil
- molecular dynamics simulations
- bariatric surgery
- oxidative stress
- amino acid
- high throughput
- type diabetes
- small molecule
- emergency department
- tyrosine kinase
- climate change
- irritable bowel syndrome
- tissue engineering
- skeletal muscle
- dna binding
- glycemic control
- electronic health record