Search Results - "Elkaeed, Eslam B."
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Computational Insights on the Potential of Some NSAIDs for Treating COVID-19: Priority Set and Lead Optimization
Published in Molecules (Basel, Switzerland) (21-06-2021)“…The discovery of drugs capable of inhibiting SARS-CoV-2 is a priority for human beings due to the severity of the global health pandemic caused by COVID-19. To…”
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Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects
Published in Molecules (Basel, Switzerland) (19-07-2022)“…A nicotinamide-based derivative was designed as an antiproliferative VEGFR-2 inhibitor with the key pharmacophoric features needed to interact with the VEGFR-2…”
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3
Molecular Docking and Dynamics Simulation Revealed the Potential Inhibitory Activity of ACEIs Against SARS-CoV-2 Targeting the hACE2 Receptor
Published in Frontiers in chemistry (04-05-2021)“…The rapid and global spread of a new human coronavirus, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) has produced an immediate urgency to…”
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4
New benzoxazole derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative evaluation, flowcytometric analysis, and in silico studies
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2022)“…A new series of benzoxazole derivatives were designed and synthesised to have the main essential pharmacophoric features of VEGFR-2 inhibitors. Cytotoxic…”
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5
Topo II inhibition and DNA intercalation by new phthalazine-based derivatives as potent anticancer agents: design, synthesis, anti-proliferative, docking, and in vivo studies
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2022)“…This research presents the design and synthesis of a novel series of phthalazine derivatives as Topo II inhibitors, DNA intercalators, and cytotoxic agents. In…”
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In Silico Studies of Some Isoflavonoids as Potential Candidates against COVID-19 Targeting Human ACE2 (hACE2) and Viral Main Protease (Mpro)
Published in Molecules (Basel, Switzerland) (10-05-2021)“…The Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) caused the “COVID-19” disease that has been declared by WHO as a global emergency. The…”
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In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking, ADMET, Toxicity and DFT Studies
Published in Molecules (Basel, Switzerland) (30-10-2021)“…Papain-like protease is an essential enzyme in the proteolytic processing required for the replication of SARS-CoV-2. Accordingly, such an enzyme is an…”
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Design and synthesis of thiazolidine-2,4-diones hybrids with 1,2-dihydroquinolones and 2-oxindoles as potential VEGFR-2 inhibitors: in-vitro anticancer evaluation and in-silico studies
Published in Journal of enzyme inhibition and medicinal chemistry (31-12-2022)“…A thiazolidine-2,4-dione nucleus was molecularly hybridised with the effective antitumor moieties; 2-oxo-1,2-dihydroquinoline and 2-oxoindoline to obtain new…”
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A Multistage In Silico Study of Natural Potential Inhibitors Targeting SARS-CoV-2 Main Protease
Published in International journal of molecular sciences (01-08-2022)“…Among a group of 310 natural antiviral natural metabolites, our team identified three compounds as the most potent natural inhibitors against the SARS-CoV-2…”
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In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10
Published in Molecules (Basel, Switzerland) (12-10-2021)“…In continuation of our previous effort, different in silico selection methods were applied to 310 naturally isolated metabolites that exhibited antiviral…”
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Multi-Step In Silico Discovery of Natural Drugs against COVID-19 Targeting Main Protease
Published in International journal of molecular sciences (21-06-2022)“…In continuation of our antecedent work against COVID-19, three natural compounds, namely, Luteoside C (130), Kahalalide E (184), and Streptovaricin B (278)…”
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New Anticancer Theobromine Derivative Targeting EGFRWT and EGFRT790M: Design, Semi-Synthesis, In Silico, and In Vitro Anticancer Studies
Published in Molecules (Basel, Switzerland) (09-09-2022)“…Based on the pharmacophoric features of EGFR inhibitors, a new semisynthetic theobromine-derived compound was designed to interact with the catalytic pocket of…”
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13
( E )- N -(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide: A Novel Pyridine Derivative for Inhibiting Vascular Endothelial Growth Factor Receptor-2: Synthesis, Computational, and Anticancer Studies
Published in Molecules (Basel, Switzerland) (09-11-2022)“…( )- -(3-(1-(2-(4-(2,2,2-Trifluoroacetamido)benzoyl)hydrazono)ethyl)phenyl)nicotinamide (compound ) was designed as an antiangiogenic VEGFR-2 inhibitor with…”
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14
Discovery of new quinolines as potent colchicine binding site inhibitors: design, synthesis, docking studies, and anti-proliferative evaluation
Published in Journal of enzyme inhibition and medicinal chemistry (01-01-2021)“…Discovering of new anticancer agents with potential activity against tubulin polymerisation is still a promising approach. Colchicine binding site inhibitors…”
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Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2,4-diones targeting VEGFR-2 and apoptosis pathway
Published in PloS one (23-09-2022)“…We report herein, the design and synthesis of thiazolidine-2,4-diones derivatives as new inhibitors for VEGFR-2. The designed members were assessed for their…”
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Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2'- o -Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs
Published in Molecules (Basel, Switzerland) (31-03-2022)“…As a continuation of our earlier work against SARS-CoV-2, seven FDA-approved drugs were designated as the best SARS-CoV-2 nsp16-nsp10 2'- -methyltransferase…”
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New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies
Published in Journal of enzyme inhibition and medicinal chemistry (31-12-2022)“…New quinoline and isatin derivatives having the main characteristics of VEGFR-2 inhibitors was synthesised. The antiproliferative effects of these compounds…”
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18
Modified Benzoxazole-Based VEGFR-2 Inhibitors and Apoptosis Inducers: Design, Synthesis, and Anti-Proliferative Evaluation
Published in Molecules (Basel, Switzerland) (08-08-2022)“…This work is one of our efforts to discover potent anticancer agents. We modified the most promising derivative of our previous work concerned with the…”
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Isolation and In Silico Anti-SARS-CoV-2 Papain-Like Protease Potentialities of Two Rare 2-Phenoxychromone Derivatives from Artemisia spp
Published in Molecules (Basel, Switzerland) (11-02-2022)“…Two rare 2-phenoxychromone derivatives, 6-demethoxy-4`-O-capillarsine ( ) and tenuflorin C ( ), were isolated from the areal parts of and respectively, for the…”
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Synthesis of Novel Benzimidazole-Based Thiazole Derivatives as Multipotent Inhibitors of α-Amylase and α-Glucosidase: In Vitro Evaluation along with Molecular Docking Study
Published in Molecules (Basel, Switzerland) (30-09-2022)“…In this study, hybrid analogs of benzimidazole containing a thiazole moiety (1–17) were afforded and then tested for their ability to inhibit α-amylase and…”
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