Browsing by Author "Kabra, Atul"

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Ethnopharmacological-Based Validation of Polyalthia suberosa Leaf Extract in Neurological, Hyperalgesic, and Hyperactive Gut Disorders Using Animal Models
(Daffodil International University, 2022-02-17) Amin, Ruhul; Quispe, Cristina; Herrera-Bravo, Jes ´us; Rahman, Md. Mizanur; Novakovic, Radmila; Dastan, Sevgi Durna; Kabra, Atul; Sharifi-Rad, Javad
Polyalthia suberosa (Roxb.) is a plant used to cure coughs, dysentery, fevers, joint aches, rheumatic pain, inflammation, and a variety of skin diseases. The aim of the study was to evaluate the ethyl acetate extract of Polyalthia suberosa (P. suberosa) leaves and their effects on mice for neuropharmacological, analgesic, and antidiarrheal activities. For neurological studies, the hole cross, hole board, open field, and thiopental sodium-induced sleep duration measurement methodologies were used. The castor oil-induced diarrhea inhibition test was used to assess antidiarrheal action, and the acetic acid-induced writhing inhibition test was used to determine analgesic effectiveness. The extract was given in doses of 250 and 500 mg kg−1 body weight. As a standard drug, diazepam at a dosage of 3 mg kg−1 was used. The extract was also given to groups, and sleep time was measured and recorded. The onset of the anxiolytic effect of the extract at both doses was found to be significant ( < 0.001), and sleep time increased to 273 minutes. For assessing analgesic activity, the extract along with standard diclofenac was administered and found to be 55.02 percent and 64.33 percent, respectively, for the extracts, and diclofenac was found to be 67.44 percent ( < 0.001). For antidiarrheal activity, it was compared with the standard drug, loperamide. The decrease for plant extracts was 50.07 percent and 70.06 percent at 250 mg kg−1 and 500 mg kg−1, respectively, whereas it was 85.01 percent for loperamide (3 mg kg−1) ( < 0.00). In this study, it was found that ethyl acetate extract of Polyalthia suberosa leaves had strong CNS depressant, analgesic, and antidiarrheal activities, which indicates that it may be used in contemporary medicine.
Ligand-Based Drug Design of Pinocembrin Derivatives Against Monkey-Pox Disease
(Elsevier, 2023-09-06) Akash, Shopnil; Bibi, Shabana; Yousafi, Qudsia; Ihsan, Awais; Mustafa, Riaz; Farooq, Umar; Kabra, Atul; Alanazi, Mohammad M.; Alanazi, Ashwag S.; Kamaly, Omkulthom Al
Severe pathogen infections, such as Monkeypox disease caused by the Monkeypox virus, easily spread in different animals and then into humans. There is an urge for novel therapeutic options, such as medicine/vaccine development to control it. Therefore, we designed Pinocembrin derivatives and performed in silico analysis such as molecular docking by PyRx software, molecular dynamics (MD) simulations at 100 ns, binding free energy estimation by AMBER20 software, ADMET profile, and Pass prediction. Optimal results were observed for two derivatives (07 and 11), exhibiting interactions with key residues of the selected protein. These interactions were substantiated by a range of structural and energetic parameters, including binding energies, solvation-free energy models, dynamic fluctuations, hydrogen bonding, and solvent accessibility. Notably, ligands 07 and 11 displayed exceptional binding affinities of −10.3 kcal/mol and −9.6 kcal/mol, respectively. RMSD value presented minor abruptions of about 1.2 to 1.3 Å and superimposed structures of selected derivatives complexes with Monkeypox target protein at 0 ns and 100 ns presented minor fluctuation in the native and bounded conformation. Slight instability is noted from the peaks in graphs of RMSD, RMSF, hydrogen bonds (HBs), beta factor (BF), and solvent-accessible surface area (SASA). Based on promising results, we proposed that Pinocembrin derivatives may serve as novel therapeutic agents against Monkeypox infections. Therefore, strongly advocate for further experimental validation through chemical laboratory testing. Such endeavors could pave the way for the development of effective treatments to mitigate the impact of Monkey-Pox disease.