Mumtaz MW

References (2)

Title : Experimental and Theoretical Biological Probing of Schiff Bases as Esterase Inhibitors: Structural, Spectral and Molecular Insights - Raza_2023_Molecules_28_5703
Author(s) : Raza MA , Mumtaz MW , Ozturk S , Latif M , Aisha , Ashraf A , Dege N , Dogan OE , Agar E , Rehman SU , Noor A
Ref : Molecules , 28 :5703 , 2023
Abstract : The present study was designed to evaluate the in vitro and in silico potential of the Schiff bases (Z)-4-ethoxy-N-((5-nitrothiophen-2-yl)methylene)benzenamine (1) and (Z)-2,4-diiodo-6-((2-methyl-3-nitrophenylimino)methyl)phenol (2). These Schiff bases were synthesized according to a reported method using ethanol as a solvent, and each reaction was monitored on a TLC until completion of the reaction. The structures of both compounds were elucidated using spectroscopic techniques such as UV-Vis, FTIR, (1)H NMR and (13)C NMR. Molecular structure was determined using single-crystal XRD, which revealed that compounds 1 and 2 were monoclinic and triclinic, respectively. Hirshfeld surface analysis (HS) and 2D fingerprint plots were used to determine the intermolecular interactions along the contact contribution in the crystalline molecules. The structures of both compounds were optimized through a hybrid functional method B3LYP using the 6-31G(d,p) basis set, and various structural parameters were studied. The experimental and theoretical parameters (bond angle and bond length) of the compounds were compared with each other and are in close agreement. The in vitro esterase potential of the synthesized compounds was checked using a spectrophotometric model, while in silico molecular docking studies were performed with AutoDock against two enzymes of the esterase family. The docking studies and the in vitro assessment predicted that such molecules could be used as enzyme inhibitors against the tested enzymes: acetylcholine esterase (AChE) and butyrylcholine esterase (BChE).
ESTHER : Raza_2023_Molecules_28_5703
PubMedSearch : Raza_2023_Molecules_28_5703
PubMedID: 37570673

Title : Antioxidant and antiacetylcholine esterase potential of aerial parts of Conocarpus erectus, Ficus variegata and Ficus maclellandii - Raza_2016_Pak.J.Pharm.Sci_29_489
Author(s) : Raza MA , Anwar F , Shahwar D , Majeed A , Mumtaz MW , Danish M , Nazar MF , Perveen I , Khan SD
Ref : Pak J Pharm Sci , 29 :489 , 2016
Abstract : The current study was designed to check the antioxidant and enzyme inhibition potential of various extracts/ fractions of three selected plants. The aerial parts of Conocarpus erectus (Combretaceae), Ficus variegata (Moraceae) and Ficus maclellandii (Moraceae) were extracted with ethanol (95%) and the resulting crude extracts were partitioned with n-hexane, chloroform and n-butanol successively. Folin-Ciocalteu reagent was used to calculate the total phenolic contents, flavonoids contents were calculated with aluminum chloride while antioxidant and enzyme studies were carried out through standard protocols. All extracts/fractions contained reasonable amount of phenolic compounds ranging from 0.58-58.23mg CE/g of DW and 0.43-30.56mg GAE/g of DW. Total flavonoids were determined using rutin and quercetin standards, ranging from 2.65-18.2 mg rutin equivalent/g of dry weight and 0.92-5.41mg quercetin equivalent/g of dry weight. Antioxidant studies such as DPPH inhibition FRAP and total antioxidant capacity (TAC) was checked. The crude ethanolic extract of C. erectus showed maximum antiradical scavenging power (90.43%; IC50=7 mug) and ferric reducing antioxidant power (16.5muM eq.FeSO4.7H2O), respectively while leave extract of F. variegata (chloroform) was the most active (0.6577) in TAC among other extracts of the selected medicinal plants. Butanolic leave extract of C. erectus exhibited maximum enzyme inhibition activity (91.62% with IC50 40mug/ml) while other extracts showed significant activity. It was observed from results that all extracts/fractions of under consideration plants, exhibited significant bioactivities especially ethanolic and butanolic fractions, which may be the richest source of such type of activities.
ESTHER : Raza_2016_Pak.J.Pharm.Sci_29_489
PubMedSearch : Raza_2016_Pak.J.Pharm.Sci_29_489
PubMedID: 27087094