Search Results - "Ibrahim, Tamer M."
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In silico identification of novel SARS-COV-2 2′-O-methyltransferase (nsp16) inhibitors: structure-based virtual screening, molecular dynamics simulation and MM-PBSA approaches
Published in Journal of enzyme inhibition and medicinal chemistry (01-01-2021)“…The novel coronavirus disease COVID-19, caused by the virus SARS CoV-2, has exerted a significant unprecedented economic and medical crisis, in addition to its…”
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Development of Novel Quinoline-Based Sulfonamides as Selective Cancer-Associated Carbonic Anhydrase Isoform IX Inhibitors
Published in International journal of molecular sciences (15-10-2021)“…A new series of quinoline-based benzenesulfonamides ( ) were developed as potential carbonic anhydrase inhibitors (CAIs). The target CAIs is based on the…”
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In Silico Targeting of Fascin Protein for Cancer Therapy: Benchmarking, Virtual Screening and Molecular Dynamics Approaches
Published in Molecules (Basel, Switzerland) (29-01-2023)“…Fascin is an actin-bundling protein overexpressed in various invasive metastatic carcinomas through promoting cell migration and invasion. Therefore, blocking…”
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Spiro heterocycles bearing piperidine moiety as potential scaffold for antileishmanial activity: synthesis, biological evaluation, and in silico studies
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2023)“…New spiro-piperidine derivatives were synthesised via the eco-friendly ionic liquids in a one-pot fashion. The in vitro antileishmanial activity against…”
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Discovery of new pyridine-quinoline hybrids as competitive and non-competitive PIM-1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities
Published in Journal of enzyme inhibition and medicinal chemistry (01-12-2023)“…New quinoline-pyridine hybrids were designed and synthesised as PIM-1/2 kinase inhibitors. Compounds 5b, 5c, 6e, 13a, 13c, and 14a showed in-vitro low…”
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New pyrazolylpyrazoline derivatives as dual acting antimalarial-antileishamanial agents: synthesis, biological evaluation and molecular modelling simulations
Published in Journal of enzyme inhibition and medicinal chemistry (31-12-2022)“…Promising inhibitory activities of the parasite multiplication were obtained upon evaluation of in vivo antimalarial activities of new pyrazolylpyrazoline…”
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Design and synthesis of phthalazine-based compounds as potent anticancer agents with potential antiangiogenic activity via VEGFR-2 inhibition
Published in Journal of enzyme inhibition and medicinal chemistry (01-01-2019)“…In the designed compounds, either a biarylamide or biarylurea moiety or an N-substituted piperazine motif was linked to position 1 of the phthalazine core. The…”
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In silico identification of potential SARS COV-2 2'- O -methyltransferase inhibitor: fragment-based screening approach and MM-PBSA calculations
Published in RSC advances (26-04-2021)“…In the present era, there are many efforts trying to face the emerging and successive waves of the COVID-19 pandemic. This has led to considering new and…”
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Structure-guided approach on the role of substitution on amide-linked bipyrazoles and its effect on their anti-inflammatory activity
Published in Journal of enzyme inhibition and medicinal chemistry (31-12-2022)“…A structure-guided modelling approach using COX-2 as a template was used to investigate the effect of replacing the chloro atom located at the chlorophenyl…”
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Supporting SARS-CoV-2 Papain-Like Protease Drug Discovery: In silico Methods and Benchmarking
Published in Frontiers in chemistry (05-11-2020)“…The coronavirus disease 19 (COVID-19) is a rapidly growing pandemic caused by the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Its papain-like…”
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Synthesis, anti-inflammatory screening, molecular docking, and COX-1,2/-5-LOX inhibition profile of some novel quinoline derivatives
Published in Bioorganic chemistry (01-08-2018)“…New quinoline compounds comprising pyrazole scaffold through different linkers were synthesized and evaluated for their anti-inflammatory activity. In vitro…”
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Design, synthesis and biological evaluation of novel pyridine derivatives as anticancer agents and phosphodiesterase 3 inhibitors
Published in Bioorganic & medicinal chemistry (15-08-2009)“…Two series of 4,6-diaryl-2-imino-1,2-dihydropyridine-3-carbonitriles and their isosteric 4,6-diaryl-2-oxo-1,2-dihydropyridine-3-carbonitriles were synthesized…”
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Using CADD tools to inhibit the overexpressed genes FAP, FN1, and MMP1 by repurposing ginsenoside C and Rg1 as a treatment for oral cancer
Published in Frontiers in molecular biosciences (23-10-2023)“…Oral cancer is one of the most common cancer types. Many factors can express certain genes that cause the proliferation of oral tissues. Overexpressed genes…”
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New antileishmanial quinoline linked isatin derivatives targeting DHFR-TS and PTR1: Design, synthesis, and molecular modeling studies
Published in European journal of medicinal chemistry (15-01-2023)“…In a search for new drug candidates for one of the neglected tropical diseases, leishmaniasis, twenty quinoline-isatin hybrids were synthesized and tested for…”
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Leishmania treatment and prevention: Natural and synthesized drugs
Published in European journal of medicinal chemistry (05-12-2018)“…Leishmaniasis affects over 150 million people all over the world, especially in subtropical regions. Currently used antileishmanial synthesized drugs are…”
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Mining ZINC Database to Discover Potential Phosphodiesterase 9 Inhibitors Using Structure-Based Drug Design Approach
Published in Medicinal chemistry (Shp-sariqah, United Arab Emirates) (01-01-2016)“…In view of the emerging clinical indications for Phosphodiesterase 9 inhibitors e.g. treatment of Alzheimer, diabetes, cancer, and the limited number of its…”
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Discovery of indolinone-bearing benzenesulfonamides as new dual carbonic anhydrase and VEGFR-2 inhibitors possessing anticancer and pro-apoptotic properties
Published in European journal of medicinal chemistry (05-11-2023)“…In the current medical era, the utilization of a single small molecule to simultaneously target two distinct molecular targets is emerging as a highly…”
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Evaluation and Optimization of Virtual Screening Workflows with DEKOIS 2.0 – A Public Library of Challenging Docking Benchmark Sets
Published in Journal of chemical information and modeling (24-06-2013)“…The application of molecular benchmarking sets helps to assess the actual performance of virtual screening (VS) workflows. To improve the efficiency of…”
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Development of novel benzofuran-based SLC-0111 analogs as selective cancer-associated carbonic anhydrase isoform IX inhibitors
Published in European journal of medicinal chemistry (15-04-2021)“…In the present study, we describe the design of different series of benzofuran-based derivatives as potential carbonic anhydrase inhibitors (CAIs). The adopted…”
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1,5-Diaryl-1,2,4-triazole Ureas as New SLC-0111 Analogues Endowed with Dual Carbonic Anhydrase and VEGFR‑2 Inhibitory Activities
Published in Journal of medicinal chemistry (10-08-2023)“…Presently, dual targeting by a single small molecule stands out as an effective cancer-fighting weapon. Carbonic anhydrase (CA) and vascular-endothelial growth…”
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