Publications by authors named "Manal Nael"

Computational approaches are commonly employed to expedite and provide decision-making for the drug development process. Drug development programs that involve targets without known crystal structures can be quite challenging. In many cases, a viable approach is to generate reliable homology models using the amino acid sequence of the target.

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The impact resistance of layered polymer structures using polyvinyl butyral (PVB) in combination with Kevlar fabric and ultra-high molecular weight polyethylene (UHMWPE) were fabricated and tested. Methods of wet impregnation and hot-press impregnation and consolidation of fabric with PVB and UHMWPE were used to manufacture multilayer constructs. All sandwich constructs were fixed to the surface of ballistic clay and subject to a free drop-weight test with a conical impactor having a small contact area.

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This study aimed to understand how specific cell-bound receptors influence ACE2 activation by IRW. Our results showed that G protein-coupled receptor 30 (GPR30), a 7-transmembrane domain protein, was involved in IRW-mediated ACE2 increase. IRW treatment (50 μM) significantly increased the GPR30 pool levels (3.

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The 2-(3-pyridyl)oxazolo[5,4-f]quinoxalines CD-07 and FL-291 are ATP-competitive GSK-3 kinase inhibitors. Here, we investigated the impact of FL-291 on neuroblastoma cell viability and showed that treatment at 10 μM (i.e.

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Coronavirus disease 2019 (COVID-19), the current global pandemic is caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Various pharmaceuticals are being developed to counter the spread of the virus. The strategy of repurposing known drugs and bioactive molecules is a rational approach.

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In the search for a new anti-MRSA lead compound, emodin was identified as a good lead against methicillin-resistant (MRSA). Emodin serves as a new scaffold to design novel and effective anti-MRSA agents. Because rational drug discovery is limited by the knowledge of the drug target, α-hemolysin of was used in this study because it has an essential role in infections and because emodin shares structural features with compounds that target this enzyme.

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Column chromatography afforded the isolation of seven secondary metabolites (1-(2,4,6-trihydroxy phenyl)-ethanone-4--β-d-glucopyranoside, naringenin-7--β-d-glucopyranoside, kaempferol-3--α-l-rhamnoside, kaempferol-3--β-d-glucopyranoside, quercetin-3--β-d-glucopyranoside, quercetin-3--β-d-galactopyranoside, rutin) from the ethyl acetate (ET) fractions of Miq. stems (S), leaves (L), and fruits (F). Their identification based on ultraviolet (UV), electron ionization (EI), electrospray ionization-mass spectrometry (ESI-MS), and 1D and 2D NMR data.

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A series of dietary flavonoid acacetin 7--methyl ether derivatives were computationally designed aiming to improve the selectivity and potency profiles against monoamine oxidase (MAO) B. The designed compounds were evaluated for their potential to inhibit human MAO-A and -B. Compounds , , , and were the most potent with a Ki of 37 to 68 nM against MAO-B.

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Selective inhibition of histone deacetylases (HDACs) is an important strategy in the field of anticancer drug discovery. However, lack of inhibitors that possess high selectivity toward certain HDACs isozymes is associated with adverse side effects that limits their clinical applications. We have initiated a collaborative initiatives between multi-institutions aimed at the discovery of novel and selective HDACs inhibitors.

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The in vitro activity of (promastigotes, axenic amastigotes and intracellular amastigotes in THP1 cells) and , from the fractions obtained from the hydroalcoholic extract of the aerial part of and the isolated compounds, has been evaluated. The chloroform, ethyl acetate and -butanol extracts showed significant antitrypanosomal activity towards , with IC values of 12.35, 13.

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New anticancer agents are continually needed because cancerous cells continue to evolve resistance to the currently available chemotherapeutic agents. The aim of the present study was to screen, purify and characterize a hepatotoxic bacteriocin from species. The production of bacteriocin from the isolates was achieved based on their antibacterial activity against indicator reference strains.

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Phytochemical investigation of the aerial parts of Pourr. resulted in the isolation and characterization of a new isoflavan, ()-2',4'-dihydroxy-3'-methoxy-6,7-methylenedioxyisoflavan- 4-ol (), and a new monoterpene, ()-4-hydroxy-2,2,6-trimethyl-9-oxabicyclo [4.2.

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Type 2 diabetes (T2D) is a severe disease and it is one of the most raising problems worldwide. This study deals with design, synthesis and in vivo determination of a new set of tetralin-sulfonamide derivatives as anti-diabetic and dipeptidyl peptidase-IV (DPP-4) inhibiting agents. Most of the new compounds exhibited significant hypoglycemic effect alongside with DPP-4 suppression potency considering sitagliptin as a reference drug.

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Background: Monoamine oxidases (MAOs) are outer mitochondrial membrane flavoenzymes. They catalyze the oxidative deamination of a variety of neurotransmitters. MAO-A and MAO-B may be considered as targets for inhibitors to treat neurodegenerative diseases and depression and for managing symptoms associated with Parkinson's and Alzheimer's diseases.

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A near-infrared fluorescent probe based on methylene blue (p-NBMB) was developed for the detection of nitroreductase. Conjugating methylene blue with a p-nitrobenzyl moiety enables it to be activated by nitroreductase-catalyzed 1,6-elimination, resulting in the release of an active methylene blue fluorophore.

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