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Article ; Online: GW-2974 and SCH-442416 modulators of tyrosine kinase and adenosine receptors can also stabilize human telomeric G-quadruplex DNA.

Salem, Alaa A / El Haty, Ismail A / Ghattas, Mohammad A

2022 Volume 17, Issue 12, Page(s) e0277963

Abstract: GW-2974 is a potent tyrosine kinase receptor inhibitor while SCH-442416 is a potent adenosine receptors' antagonist with high selectivity towards human adenosine A2A receptor over other adenosine receptors. The two compounds were reported to possess anti- ...

Abstract	GW-2974 is a potent tyrosine kinase receptor inhibitor while SCH-442416 is a potent adenosine receptors' antagonist with high selectivity towards human adenosine A2A receptor over other adenosine receptors. The two compounds were reported to possess anti-cancer properties. This study aimed to investigate whether stabilization of human telomeric G-quadruplex DNA by GW-2974- and SCH-442416 is a plausible fundamental mechanism underlying their anti-cancer effects. Human telomeric G-quadruplex DNA with sequence AG3(TTAGGG)3 was used. The study used ultraviolet-visible (UV-Vis), fluorescence, fluorescence quenching, circular dichroism (CD), melting temperatures (Tm) and molecular docking techniques to evaluate interactions. The results showed that GW-2974 and SCH-442416 interacted with G-quadruplex DNA through intercalation binding into two types of dependent binding sites. Binding affinities of 1.3 × 108-1.72 × 106 M-1 and 1.55 × 107-3.74 × 105 M-1 were obtained for GW-2974 and SCH-442416, respectively. An average number of binding sites between 1 and 2 was obtained. Additionally, the melting temperature curves indicated that complexation of both compounds to G-quadruplex DNA provided more stability (ΔTm = 9.9°C and 9.6°C, respectively) compared to non-complexed G-quadruplex DNA. Increasing the molar ratios over 1:1 (drug:G-quadruplex) showed less stabilization effect on DNA. Furthermore, GW-2974 and SCH-442516 have proven ≥ 4.0 folds better selective towards G-quadruplex over double-stranded ct-DNA. In silico molecular docking and dynamics revealed favorable exothermic binding for the two compounds into two sites of parallel and hybrid G-quadruplex DNA structures. The results supported the hypothesis that GW-2974 and SCH-442416 firmly stabilize human telomeric G-quadruplex DNA in additions to modulating tyrosine kinase and adenosine receptors. Consequently, stabilizing G-quadruplex DNA could be a mechanism underlying their anti-cancer activity.
MeSH term(s)	Humans ; G-Quadruplexes ; Protein-Tyrosine Kinases ; Molecular Docking Simulation ; DNA ; Receptors, Purinergic P1
Chemical Substances	SCH 442416 (ZMC4G1W59S) ; Protein-Tyrosine Kinases (EC 2.7.10.1) ; DNA (9007-49-2) ; Receptors, Purinergic P1
Language	English
Publishing date	2022-12-07
Publishing country	United States
Document type	Journal Article
ZDB-ID	2267670-3
ISSN	1932-6203 ; 1932-6203
ISSN (online)	1932-6203
ISSN	1932-6203
DOI	10.1371/journal.pone.0277963
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Article ; Online: Novel Thiazolidinedione and Rhodanine Derivatives Regulate Glucose Metabolism, Improve Insulin Sensitivity, and Activate the Peroxisome Proliferator-Activated γ Receptor.

Al Neyadi, Shaikha S / Adem, Abdu / Amir, Naheed / Ghattas, Mohammad A / Abdou, Ibrahim M / Salem, Alaa A

ACS omega

2024 Volume 9, Issue 5, Page(s) 5463–5484

Abstract: Sixteen novel thiazolidinedione (TZD) and rhodanine (RD) derivatives were designed and synthesized by introducing a pyrimidine moiety at different sites of pioglitazone's structure. The effects of synthesized compounds on regulating glucose metabolism, ... ...

Abstract	Sixteen novel thiazolidinedione (TZD) and rhodanine (RD) derivatives were designed and synthesized by introducing a pyrimidine moiety at different sites of pioglitazone's structure. The effects of synthesized compounds on regulating glucose metabolism, improving insulin sensitivity, and activating the peroxisome proliferator-activated γ receptor (PPAR-γ) were evaluated in βTC6 cells. Compounds TZDs #
Language	English
Publishing date	2024-01-25
Publishing country	United States
Document type	Journal Article
ISSN	2470-1343
ISSN (online)	2470-1343
DOI	10.1021/acsomega.3c07149
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Article ; Online: Characterization of human serum albumin's interactions with safranal and crocin using multi-spectroscopic and molecular docking techniques.

Salem, Alaa A / Lotfy, Mohamed / Amin, Amr / Ghattas, Mohammad A

Biochemistry and biophysics reports

2019 Volume 20, Page(s) 100670

Abstract: Interaction mechanisms of human serum albumin (HSA) with safranal and crocin were studied using UV-Vis absorption, fluorescence quenching and circular dichroism (CD) spectroscopies as well as molecular docking techniques. Changes in absorbance and ... ...

Abstract	Interaction mechanisms of human serum albumin (HSA) with safranal and crocin were studied using UV-Vis absorption, fluorescence quenching and circular dichroism (CD) spectroscopies as well as molecular docking techniques. Changes in absorbance and fluorescence of HSA upon interactions with both compounds were attributed to their binding to amino acid chromophores located in subdomains IIA and IIIA. Fluorescence secondary inner filter effect was excluded using 278 nm and 340 nm as the wavelengths of HSA's excitation and fluorescence while safranal and crocin absorbed at 320 nm and 445 nm, respectively. Stern-Volmer model revealed a static quenching mechanism involve the formation of non-fluorescent ground state complexes. Stern-Volmer, Hill, Benesi-Hilbrand and Scatchard models gave apparent binding constants ranged in 4.25 × 10
Language	English
Publishing date	2019-09-12
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	2831046-9
ISSN	2405-5808 ; 2405-5808
ISSN (online)	2405-5808
ISSN	2405-5808
DOI	10.1016/j.bbrep.2019.100670
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Article ; Online: Method validation and determinations of levofloxacin, metronidazole and sulfamethoxazole in an aqueous pharmaceutical, urine and blood plasma samples using quantitative nuclear magnetic resonance spectrometry.

Salem, Alaa A / Mossa, Hussein A

Talanta

2012 Volume 88, Page(s) 104–114

Abstract: Selective, rapid and accurate quantitative proton nuclear magnetic resonance (qHNMR) method for the determination of levofloxacin, metronidazole benzoate and sulfamethoxazole in aqueous solutions was developed and validated. The method was successfully ... ...

Abstract	Selective, rapid and accurate quantitative proton nuclear magnetic resonance (qHNMR) method for the determination of levofloxacin, metronidazole benzoate and sulfamethoxazole in aqueous solutions was developed and validated. The method was successfully applied to the determinations of the drugs and their admixtures in pharmaceutical, urine and plasma samples. Maleic acid and sodium malate were used as internal standards. Effect of temperature on spectral measurements was evaluated. Linear dynamic ranges of 0.50-68.00, 0.13-11.30 and 0.24-21.00 mg per 0.60 mL solution were obtained for levofloxacin, metronidazole benzoate and sulfamethoxazole, respectively. Average recovery % in the range of 96.00-104.20 ± (0.17-2.91) was obtained for drugs in pure, pharmaceutical, plasma and urine samples. Inter and intra-day analyses gave average recoveries % in the ranges 96.10-98.40 ± (1.68-2.81) and 96.00-104.20 ± (0.17-2.91), respectively. Instrumental detection limits ≤0.03 mg per 0.6 mL were obtained for the three drugs. Developed method has demonstrated high performance characteristics for analyzing investigated drugs and their admixtures. Student t-test at 95% confidence level revealed insignificant bias between the real and measured contents of investigated drugs in pure, pharmaceutical, urine and plasma samples and its admixtures. Application of the statistical F-test revealed insignificant differences in precisions between the developed method and arbitrary selected reference methods.
MeSH term(s)	Humans ; Levofloxacin ; Magnetic Resonance Spectroscopy/methods ; Maleates/analysis ; Metronidazole/blood ; Metronidazole/urine ; Ofloxacin/blood ; Ofloxacin/urine ; Sensitivity and Specificity ; Sulfamethoxazole/blood ; Sulfamethoxazole/urine ; Temperature
Chemical Substances	Maleates ; Metronidazole (140QMO216E) ; Levofloxacin (6GNT3Y5LMF) ; maleic acid (91XW058U2C) ; Ofloxacin (A4P49JAZ9H) ; Sulfamethoxazole (JE42381TNV)
Language	English
Publishing date	2012-01-15
Publishing country	Netherlands
Document type	Journal Article ; Validation Studies
ZDB-ID	1500969-5
ISSN	1873-3573 ; 0039-9140
ISSN (online)	1873-3573
ISSN	0039-9140
DOI	10.1016/j.talanta.2011.10.016
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Article ; Online: Novel flow injection analysis methods for the determination of total iron in blood serum and water.

Elsuccary, S A A / Salem, Alaa A

Talanta

2015 Volume 131, Page(s) 108–115

Abstract: This work describes rapid, sensitive and highly precise methods for the determination of total iron in blood serum and water samples, using batch, nFIA and rFIA techniques. The proposed methods are based on the selective oxidation of 2,2'-azino-bis(3- ... ...

Abstract	This work describes rapid, sensitive and highly precise methods for the determination of total iron in blood serum and water samples, using batch, nFIA and rFIA techniques. The proposed methods are based on the selective oxidation of 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) by iron(III). The absorbance of the resultant green solution of radical cation (ABTS(·+)) was monitored spectrophotometrically at λ max=415 nm. The reaction is stoichiometric with a ratio of 1:1 (Fe(III):ABTS) as determined by Job's and molar ratio methods. The proposed methods allow for the determination of Fe(III) in the ranges 0-4.5 mg L(-1) (LOD 25.5 µg L(-1), %RSD 0.97%, n=7); 0 to 4.5 mg L(-1) (LOD 370 µg L(-1), %RSD 1.28%, n=7) and 0 to 2.7 mg L(-1) (81.6 µg L(-1), %RSD 0.76%, n=6) for batch, nFIA and rFIA techniques, respectively. The proposed methods show high selectivity to Fe(III), as indicated by the high tolerance limits for common interfering ions. The nFIA method was applied in total iron assay in camel blood serum, whereas batch and rFIA methods were successful in the determination of total iron in municipal pipeline water and spiked groundwater. Statistical analysis indicated insignificant differences in accuracy and precision between the results obtained by the developed methods and ICP-AES or phenanthroline methods.
MeSH term(s)	Animals ; Benzothiazoles/chemistry ; Camelus ; Flow Injection Analysis/methods ; Iron/analysis ; Oxidation-Reduction ; Serum/chemistry ; Spectrophotometry ; Sulfonic Acids/chemistry ; Water/chemistry
Chemical Substances	Benzothiazoles ; Sulfonic Acids ; Water (059QF0KO0R) ; 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid (28752-68-3) ; Iron (E1UOL152H7)
Language	English
Publishing date	2015-01
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1500969-5
ISSN	1873-3573 ; 0039-9140
ISSN (online)	1873-3573
ISSN	0039-9140
DOI	10.1016/j.talanta.2014.07.068
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Article ; Online: Synthesis and in vitro biological evaluation of new pyrimidines as glucagon-like peptide-1 receptor agonists.

AlNeyadi, Shaikha S / Adem, Abdu / Amer, Naheed / Salem, Alaa A / Abdou, Ibrahim M

Bioorganic & medicinal chemistry letters

2017 Volume 27, Issue 22, Page(s) 5071–5075

Abstract: The therapeutic success of peptide glucagon-like peptide-1 (GLP-1) receptor agonists for the treatment of type 2 diabetes mellitus has inspired discovery efforts aimed at developing orally available small-molecule GLP-1 receptor agonists. In this study, ... ...

Abstract	The therapeutic success of peptide glucagon-like peptide-1 (GLP-1) receptor agonists for the treatment of type 2 diabetes mellitus has inspired discovery efforts aimed at developing orally available small-molecule GLP-1 receptor agonists. In this study, two series of new pyrimidine derivatives were designed and synthesized using an efficient route, and were evaluated in terms of GLP-1 receptor agonist activity. In the first series, novel pyrimidines substituted at positions 2 and 4 with groups varying in size and electronic properties were synthesized in a good yield (78-90%). In the second series, the designed pyrimidine templates included both urea and Schiff base linkers, and these compounds were successfully produced with yields of 77-84%. In vitro experiments with cultured cells showed that compounds 3a and 10a (10
MeSH term(s)	Animals ; Cell Line ; Glucagon-Like Peptide-1 Receptor/agonists ; Glucagon-Like Peptide-1 Receptor/metabolism ; Hypoglycemic Agents/chemical synthesis ; Hypoglycemic Agents/chemistry ; Hypoglycemic Agents/pharmacology ; Insulin/metabolism ; Insulin Secretion ; Insulin-Secreting Cells/cytology ; Insulin-Secreting Cells/drug effects ; Insulin-Secreting Cells/metabolism ; Mice ; Pyrimidines/chemical synthesis ; Pyrimidines/chemistry ; Pyrimidines/pharmacology
Chemical Substances	Glucagon-Like Peptide-1 Receptor ; Hypoglycemic Agents ; Insulin ; Pyrimidines
Language	English
Publishing date	2017-09-14
Publishing country	England
Document type	Journal Article
ZDB-ID	1063195-1
ISSN	1464-3405 ; 0960-894X
ISSN (online)	1464-3405
ISSN	0960-894X
DOI	10.1016/j.bmcl.2017.09.032
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Zs.A 3203: Show issues

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Article: Application of quantitative nuclear magnetic resonance spectroscopy for the determination ofamantadine and acyclovir in plasma and pharmaceutical samples.

Salem, Alaa A / Abdou, Ibrahim M / Saleh, Habiba A

Journal of AOAC International

2013 Volume 95, Issue 6, Page(s) 1644–1651

Abstract: Rapid, simple, and selective methods for determining amantadine HCI and acyclovir antiviral drugs in pharmaceutical and plasma samples were developed using 1H-NMR spectroscopy with dimethyl sulfoxide (DMSO-d6) as the solvent. Integrations of the 1H-NMR ... ...

Abstract	Rapid, simple, and selective methods for determining amantadine HCI and acyclovir antiviral drugs in pharmaceutical and plasma samples were developed using 1H-NMR spectroscopy with dimethyl sulfoxide (DMSO-d6) as the solvent. Integrations of the 1H-NMR signals at 2.07 and 7.82 ppm were used, respectively, for quantifying the two drugs, with the malonic acid signal at 3.24 ppm as the internal reference signal. Average recoveries of 98.24-101.00 +/- 4.82% and 97.7-100.38 +/- 3.36% were obtained for amantadine HCI and acyclovir in pharmaceutical samples, respectively. Average recoveries of 97.36-103.68 +/- 2.99 and 93.81-99.80 +/- 2.93 were obtained, respectively, for both drugs in plasma samples. The statistical Student's t-test gave t-values < or = 1.41 for analyzed pharmaceutical samples and t-values < or = 0.29 for analyzed plasma samples. These values indicated insignificant difference between the real and measured contents at the 95% confidence level. Application of the statistical F-test for the analytical results of amantadine HCI gave F-values < or = 6.44 and 2.80 in pharmaceutical and plasma samples, respectively. F-values < or = 6.82 and 3.86 were obtained for acyclovir in pharmaceutical and plasma, respectively. These values indicated insignificant differences in precisions between the developed NMR methods and arbitrarily chosen HPLC methods reported for determining both drugs in pharmaceutical and plasma samples.
MeSH term(s)	Acyclovir/analysis ; Acyclovir/blood ; Amantadine/analysis ; Amantadine/blood ; Antiviral Agents/analysis ; Antiviral Agents/blood ; Calibration ; Capsules/analysis ; Dimethyl Sulfoxide ; Humans ; Limit of Detection ; Magnetic Resonance Spectroscopy ; Malonates/analysis ; Malonates/blood ; Pharmaceutical Preparations/analysis ; Powders/analysis ; Reference Standards ; Reproducibility of Results ; Solvents
Chemical Substances	Antiviral Agents ; Capsules ; Malonates ; Pharmaceutical Preparations ; Powders ; Solvents ; malonic acid (9KX7ZMG0MK) ; Amantadine (BF4C9Z1J53) ; Acyclovir (X4HES1O11F) ; Dimethyl Sulfoxide (YOW8V9698H)
Language	English
Publishing date	2013-02-18
Publishing country	England
Document type	Journal Article
ZDB-ID	1103149-9
ISSN	1944-7922 ; 1060-3271
ISSN (online)	1944-7922
ISSN	1060-3271
DOI	10.5740/jaoacint.11-165
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Article ; Online: Determination of Some β-Blockers and β2-Agonists in Plasma and Urine Using Liquid Chromatography-tandem Mass Spectrometry and Solid Phase Extraction.

Salem, Alaa A / Wasfi, Ibrahim / Al-Nassib, Salama S / Allawy Mohsin, Mahmoud / Al-Katheeri, Nawal

Journal of chromatographic science

2017 Volume 55, Issue 8, Page(s) 846–856

Abstract: A highly sensitive method for the determinations of acebutolol, clenbuterol, nadolol, oxprenolol, propranolol, terbutaline and timolol β-blockers and β2-agonists in plasma and urine was developed. The method was optimized using electrospray ionization ... ...

Abstract	A highly sensitive method for the determinations of acebutolol, clenbuterol, nadolol, oxprenolol, propranolol, terbutaline and timolol β-blockers and β2-agonists in plasma and urine was developed. The method was optimized using electrospray ionization liquid chromatography-tandem mass spectrometry (LC-ESI-MS-MS) and clean screen solid phase extraction cartridges. Matrix effect was reduced by removing co-extractives from the SPE cartridges using methanol prior to drugs' elution. Using blood and serum matrices for calibration and applying the internal standard method has also contributed to the reduction of matrix effect. Method's validation yielded linear dynamic ranges of 5.0-50.0 and 50.0-1000.0 ng/ml for drugs spiked in plasma and urine respectively. It also gave correlation coefficients of 0.94-0.99, detection limits ranged in 0.06-5.04 pg/ml and quantification limits ranged in 0.14-22.88 pg/ml for the target drugs. Developed method was successfully applied to the analysis of β-blockers and β2-agonists in plasma and urine samples. Plasma samples fortified with drugs at 7.5, 40.0 and 75.0 ng/ml gave percentage recoveries ranged in 78.66-118.10, 67.02-83.97 and 74.77-93.80, respectively. Urine samples fortified with drugs at 80.0, 400.0 and 800.0 ng/ml gave percentage recoveries ranged in 104.68-130.18, 110.23-125.16 and 109.46-116.89, respectively. Variance coefficients ranged in 0.05-0.35 and 0.04-0.12 were, respectively, obtained for the analyses of drugs in plasma and urine samples. Results suggest that developed method is well suited for the analysis of investigated drugs in biological fluids.
Language	English
Publishing date	2017-09-01
Publishing country	United States
Document type	Journal Article
ZDB-ID	80141-0
ISSN	1945-239X ; 0021-9665
ISSN (online)	1945-239X
ISSN	0021-9665
DOI	10.1093/chromsci/bmx045
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Article ; Online: Antibacterial activity and mechanism of action of the benzazole acrylonitrile-based compounds: In vitro, spectroscopic, and docking studies.

AlNeyadi, Shaikha S / Salem, Alaa A / Ghattas, Mohammad A / Atatreh, Noor / Abdou, Ibrahim M

European journal of medicinal chemistry

2017 Volume 136, Page(s) 270–282

Abstract: A new series of pyrimidine derivatives 5, 9a-d and 12a-d was synthesized by an efficient procedure. The antibacterial activity of the new compounds was studied against four bacterial strains. Compound 5 was found to exhibit the highest potency, with = 1 ... ...

Abstract	A new series of pyrimidine derivatives 5, 9a-d and 12a-d was synthesized by an efficient procedure. The antibacterial activity of the new compounds was studied against four bacterial strains. Compound 5 was found to exhibit the highest potency, with = 1.0 μg/ml, against both Escherichia coli and Pseudomonas aeruginosa when compared with amoxicillin (MIC = 1.0-1.5 μg/mL). Transmission electron microscope results confirmed that activities against bacteria occurred via rupturing of the cell wall. Molecular modeling results suggested that compounds 5, 9a-d and 12a-d have the potential to irreversibly bind to the penicillin-binding protein (PBP) Ser62 residue in the active site and were able to overcome amoxicillin resistance in bacteria by inhibiting the β-lactamase enzyme. Docking studies showed that compounds 5, 9a-d and 12a-d inhibit the β-lactamase enzyme through covalent bonding with Ser70. The synergistic effect with amoxicillin was studied. The newly synthesized compounds reported in this study warrant further consideration as prospective antimicrobial agents.
MeSH term(s)	Acrylonitrile/chemical synthesis ; Acrylonitrile/chemistry ; Acrylonitrile/pharmacology ; Anti-Bacterial Agents/chemical synthesis ; Anti-Bacterial Agents/chemistry ; Anti-Bacterial Agents/pharmacology ; Circular Dichroism ; Dose-Response Relationship, Drug ; Escherichia coli/drug effects ; Escherichia coli/enzymology ; Magnetic Resonance Spectroscopy ; Microbial Sensitivity Tests ; Molecular Docking Simulation ; Molecular Structure ; Pseudomonas aeruginosa/drug effects ; Pseudomonas aeruginosa/enzymology ; Spectrophotometry, Ultraviolet ; Structure-Activity Relationship ; beta-Lactamase Inhibitors/chemical synthesis ; beta-Lactamase Inhibitors/chemistry ; beta-Lactamase Inhibitors/pharmacology ; beta-Lactamases/metabolism
Chemical Substances	Anti-Bacterial Agents ; beta-Lactamase Inhibitors ; beta-Lactamases (EC 3.5.2.6) ; Acrylonitrile (MP1U0D42PE)
Language	English
Publishing date	2017-08-18
Publishing country	France
Document type	Journal Article
ZDB-ID	188597-2
ISSN	1768-3254 ; 0009-4374 ; 0223-5234
ISSN (online)	1768-3254
ISSN	0009-4374 ; 0223-5234
DOI	10.1016/j.ejmech.2017.05.010
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Article: Method validation and determinations of levofloxacin, metronidazole and sulfamethoxazole in an aqueous pharmaceutical, urine and blood plasma samples using quantitative nuclear magnetic resonance spectrometry

Salem, Alaa A / Mossa, Hussein A

Talanta. 2012 Jan. 15, v. 88

2012

Abstract	Selective, rapid and accurate quantitative proton nuclear magnetic resonance (qHNMR) method for the determination of levofloxacin, metronidazole benzoate and sulfamethoxazole in aqueous solutions was developed and validated. The method was successfully applied to the determinations of the drugs and their admixtures in pharmaceutical, urine and plasma samples. Maleic acid and sodium malate were used as internal standards. Effect of temperature on spectral measurements was evaluated. Linear dynamic ranges of 0.50–68.00, 0.13–11.30 and 0.24–21.00mg per 0.60mL solution were obtained for levofloxacin, metronidazole benzoate and sulfamethoxazole, respectively. Average recovery % in the range of 96.00–104.20±(0.17–2.91) was obtained for drugs in pure, pharmaceutical, plasma and urine samples. Inter and intra-day analyses gave average recoveries % in the ranges 96.10–98.40±(1.68–2.81) and 96.00–104.20±(0.17–2.91), respectively. Instrumental detection limits ≤0.03mg per 0.6mL were obtained for the three drugs. Developed method has demonstrated high performance characteristics for analyzing investigated drugs and their admixtures. Student t-test at 95% confidence level revealed insignificant bias between the real and measured contents of investigated drugs in pure, pharmaceutical, urine and plasma samples and its admixtures. Application of the statistical F-test revealed insignificant differences in precisions between the developed method and arbitrary selected reference methods.
Keywords	aqueous solutions ; blood plasma ; detection limit ; drugs ; levofloxacin ; malates ; maleic acid ; metronidazole ; nuclear magnetic resonance spectroscopy ; sulfamethoxazole ; t-test ; temperature ; urine
Language	English
Dates of publication	2012-0115
Size	p. 104-114.
Publishing place	Elsevier B.V.
Document type	Article
ZDB-ID	1500969-5
ISSN	1873-3573 ; 0039-9140
ISSN (online)	1873-3573
ISSN	0039-9140
DOI	10.1016/j.talanta.2011.10.016
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