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
- essential oil
- protein protein
- bariatric surgery
- molecular dynamics simulations
- drug induced
- oxidative stress
- adverse drug
- high throughput
- molecular dynamics
- emergency department
- type diabetes
- human health
- metabolic syndrome
- tyrosine kinase
- climate change
- single cell
- transcription factor
- skeletal muscle
- body mass index
- ulcerative colitis
- insulin resistance
- obese patients