Search Results - "Belal, Amany"
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3D-Pharmacophore Modeling, Molecular Docking, and Virtual Screening for Discovery of Novel CDK4/6 Selective Inhibitors
Published in Russian journal of bioorganic chemistry (2021)“…Structure-based pharmacophore mapping, drug-likeness and ADMET profiles were used as tools in our virtual screening process, in addition to molecular docking…”
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Pyrrolizines as Potential Anticancer Agents: Design, Synthesis, Caspase-3 activation and Micronucleus (MN) Induction
Published in Anti-cancer agents in medicinal chemistry (01-01-2018)“…For further exploration of the promising pyrrolizine scaffold and in continuation of our previous work, that proved the potential anticancer activity of the…”
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Design, synthesis and molecular docking of new fused 1H-pyrroles, pyrrolo[3,2-d]pyrimidines and pyrrolo[3,2-e][1, 4]diazepine derivatives as potent EGFR/CDK2 inhibitors
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2022)“…A new series of 1H-pyrrole (6a-c, 8a-c), pyrrolo[3,2-d]pyrimidines (9a-c) and pyrrolo[3,2-e][1, 4]diazepines (11a-c) were designed and synthesised. These…”
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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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Anticoagulants as Potential SARS-CoV-2 Mpro Inhibitors for COVID-19 Patients: In Vitro, Molecular Docking, Molecular Dynamics, DFT, and SAR Studies
Published in International journal of molecular sciences (13-10-2022)“…In this article, 34 anticoagulant drugs were screened in silico against the main protease (Mpro) of SARS-CoV-2 using molecular docking tools. Idraparinux,…”
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Screening a Panel of Topical Ophthalmic Medications against MMP-2 and MMP-9 to Investigate Their Potential in Keratoconus Management
Published in Molecules (Basel, Switzerland) (02-06-2022)“…Keratoconus (KC) is a serious disease that can affect people of any race or nationality, although the exact etiology and pathogenic mechanism are still…”
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Dependence on linkers' flexibility designed for benzenesulfonamides targeting discovery of novel hCA IX inhibitors as potent anticancer agents
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2022)“…Herein we reported the design and synthesis of two series comprising twenty-two benzenesulfonamides that integrate the s-triazine moiety. Target compounds…”
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Evaluating the ability of some natural phenolic acids to target the main protease and AAK1 in SARS COV-2
Published in Scientific reports (05-05-2023)“…Researchers are constantly searching for drugs to combat the coronavirus pandemic caused by SARS-CoV-2, which has lasted for over two years. Natural compounds…”
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Design and Synthesis of New Quinoxaline Derivatives as Potential Histone Deacetylase Inhibitors Targeting Hepatocellular Carcinoma: In Silico , In Vitro , and SAR Studies
Published in Frontiers in chemistry (22-09-2021)“…Guided by the structural optimization principle and the promising anticancer effect of the quinoxaline nucleus, a new series of novel HDAC inhibitors were…”
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Design, synthesis, and molecular docking studies of novel pomalidomide-based PROTACs as potential anti-cancer agents targeting EGFRWT and EGFRT790M
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2022)“…A new class of EGFR PROTACs based on pomalidomide was developed, synthesised, and tested for their cytotoxic activity against a panel of human cancer cells…”
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An Eco-Friendly Technique: Solvent-Free Microwave Synthesis and Docking Studies of Some New Pyridine Nucleosides and Their Pharmacological Significance
Published in Molecules (Basel, Switzerland) (22-05-2019)“…Two series of novel 5-arylazo-3-cyano-2-(2″,3″,4″,6″-tetra- -acetyl-β-d-galacto pyranosyloxy) pyridines and 3-cyano-2-(2″,3″,4″,6″-tetra-…”
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Optimization of tamoxifen solubility in carbon dioxide supercritical fluid and investigating other molecular targets using advanced artificial intelligence models
Published in Scientific reports (24-01-2023)“…Particle size, shape and morphology can be considered as the most significant functional parameters, their effects on increasing the performance of oral solid…”
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Discovery of Some Heterocyclic Molecules as Bone Morphogenetic Protein 2 (BMP-2)-Inducible Kinase Inhibitors: Virtual Screening, ADME Properties, and Molecular Docking Simulations
Published in Molecules (Basel, Switzerland) (30-08-2022)“…Bone morphogenetic proteins (BMPs) are growth factors that have a vital role in the production of bone, cartilage, ligaments, and tendons. Tumors’ upregulation…”
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Computational simulation and target prediction studies of solubility optimization of decitabine through supercritical solvent
Published in Scientific reports (07-11-2022)“…Computational analysis of drug solubility was carried out using machine learning approach. The solubility of Decitabine as model drug in supercritical CO 2 was…”
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Tolmetin Sodium Fast Dissolving Tablets for Rheumatoid Arthritis Treatment: Preparation and Optimization Using Box-Behnken Design and Response Surface Methodology
Published in Pharmaceutics (18-04-2022)“…Tolmetin sodium (TLM) is a non-steroidal anti-inflammatory drug (NSAIDs). TLM is used to treat inflammation, skeletal muscle injuries, and discomfort…”
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Novel saccharin analogs as promising antibacterial and anticancer agents: synthesis, DFT, POM analysis, molecular docking, molecular dynamic simulations, and cell-based assay
Published in Frontiers in pharmacology (04-10-2022)“…Saccharine is a pharmacologically significant active scaffold for various biological activities, including antibacterial and anticancer activities. Herein,…”
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Hybridized Quinoline Derivatives as Anticancer Agents: Design, Synthesis, Biological Evaluation and Molecular Docking
Published in Anti-cancer agents in medicinal chemistry (01-01-2019)“…Conjugating quinolones with different bioactive pharmacophores to obtain potent anticancer active agents. Fused pyrazolopyrimidoquinolines 3a-d, Schiff bases…”
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Discovery of new symmetrical and asymmetrical nitrile-containing 1,4-dihydropyridine derivatives as dual kinases and P-glycoprotein inhibitors: synthesis, in vitro assays, and in silico studies
Published in Journal of enzyme inhibition and medicinal chemistry (31-12-2022)“…Two new series of symmetric (1a-h) and asymmetric (2a-l) 1,4-DHP derivatives were designed, synthesised, and evaluated as anticancer agents. In vitro…”
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Correction: Belal et al. Therapeutic Potential of Zeolites/Vitamin B12 Nanocomposite on Complete Freund's Adjuvant-Induced Arthritis as a Bone Disorder: In Vivo Study and Bio-Molecular Investigations. Pharmaceuticals 2023, 16 , 285
Published in Pharmaceuticals (Basel, Switzerland) (05-09-2024)“…In the original publication [...]…”
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