Search Results - "Shawky, Ahmed M"
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A Comprehensive Overview of Globally Approved JAK Inhibitors
Published in Pharmaceutics (06-05-2022)“…Janus kinase (JAK) is a family of cytoplasmic non-receptor tyrosine kinases that includes four members, namely JAK1, JAK2, JAK3, and TYK2. The JAKs transduce…”
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A new dynamical modeling SEIR with global analysis applied to the real data of spreading COVID-19 in Saudi Arabia
Published in Mathematical biosciences and engineering : MBE (16-10-2020)“…SEIR model is a widely used and acceptable model to distinguish the outbreak of the COVID-19 epidemic in many countries. In the current work, a new proposed…”
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3
Synthesis, X-ray diffraction analysis, quantum chemical studies and α-amylase inhibition of probenecid derived S-alkylphthalimide-oxadiazole-benzenesulfonamide hybrids
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2022)“…Sulphonamide and 1,3,4-oxadiazole moieties are present as integral structural parts of many drugs and pharmaceuticals. Taking into account the significance of…”
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4
Microwave-Assisted Synthesis, Biological Activity Evaluation, Molecular Docking, and ADMET Studies of Some Novel Pyrrolo [2,3- b ] Pyrrole Derivatives
Published in Molecules (Basel, Switzerland) (23-03-2022)“…Novel pyrrolo [2,3- ] pyrrole derivatives were synthesized and their hypolipidemic activity was assessed in hyperlipidemic rats. The chemical structures of the…”
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5
Green synthesis of silver nanoparticles using Tropaeolum majus: Phytochemical screening and antibacterial studies
Published in Green processing and synthesis (01-01-2021)“…The green biosynthesis of metal nanoparticles of already explored phytomedicines has many advantages such as enhanced biological action, increased…”
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Type I-IV Halogen⋯Halogen Interactions: A Comparative Theoretical Study in Halobenzene⋯Halobenzene Homodimers
Published in International journal of molecular sciences (14-03-2022)“…In the current study, unexplored type IV halogen⋯halogen interaction was thoroughly elucidated, for the first time, and compared to the well-established types…”
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Icotinib, Almonertinib, and Olmutinib: A 2D Similarity/Docking-Based Study to Predict the Potential Binding Modes and Interactions into EGFR
Published in Molecules (Basel, Switzerland) (24-10-2021)“…In the current study, a 2D similarity/docking-based study was used to predict the potential binding modes of icotinib, almonertinib, and olmutinib into EGFR…”
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Pharmacophore-based virtual screening, synthesis, biological evaluation, and molecular docking study of novel pyrrolizines bearing urea/thiourea moieties with potential cytotoxicity and CDK inhibitory activities
Published in Journal of enzyme inhibition and medicinal chemistry (01-01-2021)“…In the current study, virtual screening of a small library of 1302 pyrrolizines bearing urea/thiourea moieties was performed. The top-scoring hits were…”
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9
Interactions of Apigenin and Safranal with the 5HT1A and 5HT2A Receptors and Behavioral Effects in Depression and Anxiety: A Molecular Docking, Lipid-Mediated Molecular Dynamics, and In Vivo Analysis
Published in Molecules (Basel, Switzerland) (01-12-2022)“…The current study utilizes in silico molecular docking/molecular dynamics to evaluate the binding affinity of apigenin and safranal with 5HT1AR/5HT2AR,…”
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10
In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents
Published in Scientific reports (07-02-2023)“…Sirtuin 2 (SIRT2) is a member of the sirtuin protein family, which includes lysine deacylases that are NAD + -dependent and organize several biological…”
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A modified SEIR model applied to the data of COVID-19 spread in Saudi Arabia
Published in AIP advances (01-12-2020)“…The Susceptible-Exposed-Infectious-Recovered (SEIR) model is an established and appropriate approach in many countries to ascertain the spread of the…”
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12
In Silico Approach Using Free Software to Optimize the Antiproliferative Activity and Predict the Potential Mechanism of Action of Pyrrolizine-Based Schiff Bases
Published in Molecules (Basel, Switzerland) (30-06-2021)“…In the current study, a simple in silico approach using free software was used with the experimental studies to optimize the antiproliferative activity and…”
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13
Study on the SEIQR model and applying the epidemiological rates of COVID-19 epidemic spread in Saudi Arabia
Published in Infectious disease modelling (01-01-2021)“…This article attempts to establish a mathematical epidemic model for the outbreak of the new COVID-19 coronavirus. A new consideration for evaluating and…”
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14
Exploring Natural Product Activity and Species Source Candidates for Hunting ABCB1 Transporter Inhibitors: An In Silico Drug Discovery Study
Published in Molecules (Basel, Switzerland) (12-05-2022)“…The P-glycoprotein (P-gp/ABCB1) is responsible for a xenobiotic efflux pump that shackles intracellular drug accumulation. Additionally, it is included in the…”
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15
Novel pyrrolizines bearing 3,4,5-trimethoxyphenyl moiety: design, synthesis, molecular docking, and biological evaluation as potential multi-target cytotoxic agents
Published in Journal of enzyme inhibition and medicinal chemistry (01-01-2021)“…In the present study, two new series of pyrrolizines bearing 3,4,5-trimethoxyphenyl moiety were designed, synthesised, and evaluated for their cytotoxic…”
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16
Combination of an Oxindole Derivative with (-)-β-Elemene Alters Cell Death Pathways in FLT3/ITD + Acute Myeloid Leukemia Cells
Published in Molecules (Basel, Switzerland) (01-07-2023)“…Acute myeloid leukemia (AML) is one of the cancers that grow most aggressively. The challenges in AML management are huge, despite many treatment options…”
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Design and Synthesis of (2-oxo-1,2-Dihydroquinolin-4-yl)-1,2,3-triazole Derivatives via Click Reaction: Potential Apoptotic Antiproliferative Agents
Published in Molecules (Basel, Switzerland) (10-11-2021)“…A mild and versatile method based on Cu-catalyzed [2+3] cycloaddition (Huisgen-Meldal-Sharpless reaction) was developed to tether…”
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18
Synthesis and Evaluation of Novel S -alkyl Phthalimide- and S -benzyl-oxadiazole-quinoline Hybrids as Inhibitors of Monoamine Oxidase and Acetylcholinesterase
Published in Pharmaceuticals (Basel, Switzerland) (22-12-2022)“…New -alkyl phthalimide - and -benzyl - analogs of 5-(2-phenylquinolin-4-yl)-1,3,4-oxadiazole-2-thiol ( ) were prepared by reacting with -bromoalkylphthalimide…”
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19
External Electric Field Effect on the Strength of σ-Hole Interactions: A Theoretical Perspective in Like⋯Like Carbon-Containing Complexes
Published in Molecules (Basel, Switzerland) (05-05-2022)“…For the first time, σ-hole interactions within like⋯like carbon-containing complexes were investigated, in both the absence and presence of the external…”
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20
Effects of Lewis Basicity and Acidity on σ-Hole Interactions in Carbon-Bearing Complexes: A Comparative Ab Initio Study
Published in International journal of molecular sciences (01-11-2022)“…The effects of Lewis basicity and acidity on σ-hole interactions were investigated using two sets of carbon-containing complexes. In Set I, the effect of Lewis…”
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