Browsing by Author "Salem, Mohammad Alaraby"

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Anti-epileptic potential, metabolic profiling and in silico studies of the aqueous fraction from O cimum menthiifolium benth, family Lamiaceae
(Taylor and Francis Ltd, 2020-08) Zahran, Eman Maher; Usama, Ramadan; Abdel mohsen, Ahmed; Kolkeila, M Alaraby; Salem, Ezzat; Khalil, Yehia; Desoukey, Ahmed; Fouad, Mohamed Salah; Abdel mohsen, Usama Ramadan; Kolkeila, Ahmed; Salem, Mohammad Alaraby; Khalil, Hany Ezzat; Desoukey, Samar Yehia; Fouad, Ahmed; Kamel, Mohamed Salah
Get access Share icon Skip to Main Content Log in | Register Search in: Journal Natural Product Research Formerly Natural Product Letters Latest Articles 17 Views 0 CrossRef citations to date 0 Altmetric Short Communication Anti-epileptic potential, metabolic profiling and in silico studies of the aqueous fraction from O cimum menthiifolium benth, family Lamiaceae Eman Maher Zahran ,Usama Ramadan Abdelmohsen,Ahmed Kolkeila,M. Alaraby Salem,Hany Ezzat Khalil,Samar Yehia Desoukey, show all Received 04 Apr 2020, Accepted 03 Aug 2020, Published online: 18 Aug 2020 Download citation https://doi.org/10.1080/14786419.2020.1809396 CrossMark LogoCrossMark اختيار اللغة▼ Translator disclaimer Abstract The current study aimed to investigate the anti-epileptic potential of the ethanol extract and its different fractions from the Lamiaceous plant, Ocimum menthiifolium. The results revealed that the aqueous fraction with the latest onset of myoclonic convulsions (1095 ± 45**** s) was the most biologically active one. This was followed by LC-HR-MS-coupled metabolic profiling which led to dereplication of 8 compounds from that fraction. A molecular docking study was performed on the dereplicated compounds to discover the main responsible ones for the activity. The results highlighted Apigenin-7,4'-di-O-glucoside as the top scoring ligand with a possible mechanism of action involving the modulation of the voltage-gated sodium channel.
Increment of Lysosomal Biogenesis by Combined Extracts of Gum Arabic, Parsley, and Corn Silk: A Reparative Mechanism in Mice Renal Cells
(Hindawi, 07/11/2020) Helmy, Aya; El-Shazly, Mohamed; Omar, Nesreen; Rabeh, Mohamed; Abdelmohsen, Usama Ramadan; Tash, Reham; Salem, Mohammad Alaraby; Samir, Ahmed; Elshamy, Ali; Singab, Abdel Nasser B.
Gum Arabic (GA), parsley, and corn silk have been traditionally used for renal failure patients worldwide. This study aimed at probing the mechanism of the combined extracts, namely, GA (3 g/kg/day), parsley (1 g/kg/day), and corn silk (200 mg/kg/day), as nephroprotective agents in mice after amikacin (1.2 g/kg) single dose through exploration of their action on G-protein coupled receptors (GPR) 41 and 43 and the ensuing lysosomal biogenesis. Western blotting was employed for renal levels of bcl-2-associated X protein (BAX) and cytosolic cathepsin D; cell death markers, nuclear transcription factor EB (TFEB), and lysosomal associated membrane protein-1 (LAMP-1); and lysosomal biogenesis indicators. Liquid chromatography–mass spectrometry (LC-MS) and docking were also employed. After amikacin treatment, BAX and cathepsin D levels were upregulated while LAMP-1 and nuclear TFEB levels were inhibited. The combined extracts inhibited BAX and cytosolic cathepsin D but upregulated LAMP-1 and nuclear TFEB levels. Docking confirmed GPR modulatory signaling. The combined extracts showed GPR signal modulatory properties that triggered lysosome synthesis and contributed to reversing the adverse effects of amikacin on renal tissues.
Multitarget in silico studies of Ocimum menthiifolium, family Lamiaceae against SARS-CoV-2 supported by molecular dynamics simulation
(Taylor and Francis, 2020-12) Zahran, Eman Maher; Fouad, Mostafa A.; Abdelmohsen, Usama Ramadan; Kamel, Mohamed S; Khalil, Hany Ezzat; Desoukey, Samar Yehia; Salem, Mohammad Alaraby
The novel strain of human coronavirus, emerged in December 2019, which has been designated as SARS-CoV-2, causes a severe acute respiratory syndrome. Since then, it has arisen as a serious threat to the world public health. Since no approved vaccines or drugs has been found to efficiently stop the virulent spread of the virus, progressive inquiries targeting these viruses are urgently needed, especially those from plant sources. Metabolic profiling using LC-HR-ESI-MS of the butanol extract of Ocimum menthiifolium (Lamiaceae) aerial parts yielded 10 compounds including flavonoids, iridoids and phenolics. As it has been previously reported that some flavonoids can be used as anti-SARS drugs by targeting SARS-CoV-1 3CLpro, we chose to examine 14 flavonoids (detected by metabolomics and other compounds isolated via several chromatographic techniques). We investigated their potential binding interactions with the 4 main SARS-CoV-2 targets: Mpro, nsp16/nsp10 complex, ACE2-PD and RBD-S-protein via molecular docking. Docking results indicated that the nsp16/nsp10 complex has the best binding affinities where the strongest binding was detected with apigenin-7-O-rutinoside, prunin and acaciin with 9.4, 9.3 and 9.3kcal/mol binding energy, respectively, compared to the control (SAM) with 8.2kcal/mol. Furthermore, the stability of these complexes was studied using molecular dynamics of 150ns, which were then compared to their complexes in the other three targets. MM-PBSA calculations suggested the high stability of acaciin-nsp16 complex with binding energy of 110kJ/mol. This study sheds light on the structure-based design of natural flavonoids as antiSARS-CoV-2 drugs targeting the nsp16/10 complex. Abbreviations: ACE2-PD: Angiotensin converting enzyme 2 protease domain; ARDS: Acute respiratory distress syndrome; COVID-19: Corona virus disease; Mpro: Main protease; MD: Molecular dynamics; PDB: Protein data bank; RBD-S: Receptor binding domain; RMSD: Root mean square deviation; SAM: Sadenosylmethionine; SARS: Severe acute respiratory syndrome
Non-ulcerogenic pyrazolyl 2-hydroxychalcones and pyrazolylpyrazolines derived from naturally existing furochromone (khellin): semi-synthesis, docking study and anti-inflammatory activit
(national library of medicine, 2021-04) Ragab, Fatma Abd El-Fattah; Nissan, Yassin M; Salem, Mohammad Alaraby; Ali, Mamdouh Moawad; Mohamed, Ahmed Abbass
Novel pyrazolyl 2-hydroxychalcone derivatives 3a-e and pyrazolylpyrazoline derivatives 4a-e and 5a-j derived from the naturally existing furochromone (Khellin) were synthesized and evaluated for their in vivo anti-inflammatory activity. Most of the synthesized compounds showed better or comparable activity to that of Diclofenac as reference drug. Twelve compounds were evaluated for their ulcerogenic potential and exhibited no ulcerogenic effect. In addition compounds 3c, 5c and 5h as examples showed PGE2 inhibition % 88.86, 65.87 and 44.06, respectively and TNFα inhibition % 48.62, 31.11 and 16.02, respectively in rat serum samples. Compounds 3c, 5c, 5h and Celecoxib were subjected to in vitro COX-1 and COX-2 inhibition assay, showed selectivity index 45.04, 102.04, 131.58 and 185.18, respectively. The computational finding supported those of in vitro, where the pyrazolylpyrazolines interacted with the COX-2 enzyme in a similar orientation to that of Celecoxib, while chlacones were found to exhibit similar orientation to that of Diclofenac.
Novel coumarin-pyrazoline hybrids: synthesis, cytotoxicity evaluation and molecular dynamics study
(ROYAL SOC CHEMISTRY, THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND, 2021-09) Ragab, Fatma A; Eissa, Amal A. M; Fahim, Samar H; Salem, Mohammad Alaraby; Gamal, Mona A; Nissan, Yassin M
A novel series of coumarin-pyrazoline hybrids 3a-f, 4a-c and 5a-c have been synthesized and tested for their antiproliferative activity against the breast cancer cell line MCF-7. The most active compounds 3d, 3e, 3f, 5a and 5c were also evaluated for their ability to inhibit EGFR expression with reference to erlotinib. In silico studies using rigid docking, flexible docking and molecular dynamics were performed to explore the possibility of direct interactions between the active molecules and the ATP-binding site of EGFR. Most compounds demonstrated a potent cytotoxic activity against the MCF-7 cell line. The most active compounds 3d, 3e, 3f, 5a and 5c with IC50 values of 5, 26, 44, 20, and 50 nM, respectively, were further tested against HCT-116, HepG-2, A549 and SGC-7901 cell lines. All the tested compounds showed better activity than the reference standard drugs (doxorubicin and erlotinib) in all the tested cell lines. Compound 5a was the most potent one against HCT-116 with an IC50 value of 5 nM, while compound 3d was the most potent one against the breast cancer cell line MCF-7, liver HepG-2, lung A549 and the gastric cancer cell line SGC-7901 with IC50 values of 5, 77, 27 and 60 nM, respectively. Compounds 3d and 5a were tested for their cytotoxic effects on the normal breast cancer cell line MCF10a and their IC50 values were 35.78 and 22.77 mu M, respectively, indicating good selectivity. The most active compounds 3d, 3e, 3f, 5a and 5c exhibited percent reduction in EGFR level ranging from 80.9 to 88.0%. The apoptotic effect of compounds 3d and 5a on MCF-7 cells was investigated through cell cycle analysis. Both compounds showed increases in the number of cells in the pre-G1 phase of 14 and 22 folds, respectively, compared to the control. Both compounds exhibited total apoptosis of 28.06 and 43.88%, respectively. Docking of the new ligands revealed high scores compared to that of erlotinib. In the case of thiourea derivatives 3d and 3e, more stable hydrogen bonds via the thiourea group were demonstrated through molecular dynamics.