A5066957693- Synthesis and biological activity
- Computational Drug Discovery Methods
- Research on Leishmaniasis Studies
- Synthesis and Biological Evaluation
- Synthesis and Catalytic Reactions
- Enzyme function and inhibition
- SARS-CoV-2 and COVID-19 Research
- Click Chemistry and Applications
- Inflammatory mediators and NSAID effects
- Machine Learning in Materials Science
- Metabolomics and Mass Spectrometry Studies
- Cancer therapeutics and mechanisms
- Quinazolinone synthesis and applications
- Phenothiazines and Benzothiazines Synthesis and Activities
- Cholinesterase and Neurodegenerative Diseases
- Synthesis and Characterization of Heterocyclic Compounds
- Protein Structure and Dynamics
- vaccines and immunoinformatics approaches
- Trypanosoma species research and implications
- Phosphodiesterase function and regulation
- Cancer Mechanisms and Therapy
- Chemical synthesis and pharmacological studies
- RNA and protein synthesis mechanisms
- Multicomponent Synthesis of Heterocycles
- Machine Learning in Bioinformatics
Kafrelsheikh University
2017-2025
Nile University
2022-2025
University of Tübingen
2013-2023
British University in Egypt
2018
Heliopolis University
2017
German University in Cairo
2009-2015
The application of molecular benchmarking sets helps to assess the actual performance virtual screening (VS) workflows. To improve efficiency structure-based VS approaches, selection and optimization various parameters can be guided by benchmarking. With DEKOIS 2.0 library, we aim further extend complement collection publicly available decoy sets. Based on BindingDB bioactivity data, provide 81 new structurally diverse benchmark for a wide variety different target classes. ensure meaningful...
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 impact on daily life health care systems all over world. Regrettably, no vaccines or drugs are currently available for this new critical emerging human disease. Joining global fight against study we aim at identifying potential inhibitor COV-2 2′-O-methyltransferase (nsp16) which is one of most attractive targets cycle, responsible...
Presently, dual targeting by a single small molecule stands out as an effective cancer-fighting weapon. Carbonic anhydrase (CA) and vascular-endothelial growth factor (VEGF) are hypoxia-activatable genes that implicated in tumorigenesis progression of hypoxic tumors at different levels. Herein, we designed synthesized 30 1,5-diaryl-1,2,4-triazole-tethered sulfonamides (11a–f, 12a–l, 13a–f, 15a–f) novel SLC-0111 analogues with CA IX/XII VEGFR-2 inhibitory activities. The 4-fluorophenyl tail...
The development of new COX-2 inhibitors with analgesic and anti-inflammatory efficacy as well minimal gastrointestinal, renal cardiovascular toxicity, is vital importance to patients suffering from chronic course pain inflammatory conditions. This study aims at evaluating the therapeutic activity adverse drug reactions associated use newly synthesized pyrazole derivative, compound AD732, E-4-[3-(4-methylphenyl)-5-hydroxyliminomethyl-1H-pyrazol-1-yl]benzenesulfonamide, compared indomethacin...
The coronavirus disease 19 (COVID-19) is a rapidly growing pandemic caused by the severe acute respiratory syndrome 2 (SARS-CoV-2). Its papain-like protease (SARS-CoV-2 PLpro) crucial target to halt virus replication. SARS-CoV PLpro and SARS-CoV-2 share an 82.9% sequence identity 100% for binding site reported accommodate small molecules in SARS-CoV. flexible key residues Tyr269 Gln270 small-molecule recognition exist also PLpro. This inspired us use binders generate high-quality DEKOIS 2.0...
In the designed compounds, either a biarylamide or biarylurea moiety an N-substituted piperazine motif was linked to position 1 of phthalazine core. The anti-proliferative activity synthesised compounds revealed that eight (6b, 6e, 7b, 13a, 13c, 16a, 16d and 17a) exhibited excellent broad spectrum cytotoxic in NCI 5-log dose assays against full 60 cell panel with GI50 values ranging from 0.15 8.41 µM. Moreover, enzymatic assessment VEGFR-2 tyrosine kinase showed significant inhibitory...
COVID-19 still poses a worldwide health threat due to continuous viral mutations and potential resistance vaccination. SARS-CoV-2 multiplication hindrance by inhibiting the main protease (Mpro) deemed propitious. Structure-based virtual screening (SBVS) is conventional strategy for discovering new inhibitors. Nonetheless, SBVS efforts against Mpro variants needed be benchmarked. Herein, in first stage of study, we evaluated four docking tools (FRED, PLANTS, AutoDock Vina CDOCKER) via an...
A new series of quinoline-based benzenesulfonamides (QBS) were developed as potential carbonic anhydrase inhibitors (CAIs). The target QBS CAIs is based on the 4-anilinoquinoline scaffold where primary sulphonamide functionality was grafted at C4 anilino moiety a zinc anchoring group (QBS 13a–c); thereafter, switched to ortho- and meta-positions afford regioisomers 9a–d 11a–g. Moreover, linker elongation approach adopted amino replaced by hydrazide one 16. All described have been synthesized...
Promising inhibitory activities of the parasite multiplication were obtained upon evaluation in vivo antimalarial new pyrazolylpyrazoline derivatives against Plasmodium berghei infected mice. Further 5b and 6a chloroquine-resistant strain (RKL9) P. falciparum showed higher potency than chloroquine. In vitro antileishmanial activity testing Leishmania aethiopica promastigote amastigote forms indicated that 5b, 7b possessed promising compared to miltefosine amphotericin B deoxycholate....
New quinoline-pyridine hybrids were designed and synthesised as PIM-1/2 kinase inhibitors. Compounds 5b, 5c, 6e, 13a, 13c, 14a showed in-vitro low cytotoxicity against normal human lung fibroblast Wi-38 cell line potent anticancer activity myeloid leukaemia (NFS-60), liver (HepG-2), prostate (PC-3), colon (Caco-2) cancer lines. In addition, 13c significantly induced apoptosis with percentage more than 66%. Moreover, caspase 3/7 activation in HepG-2 line. Furthermore, PIM-1 inhibitory...