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Article ; Online: Kinetic degradation study for the first licensed anti-influenza polymerase inhibitor, baloxavir marboxil, using high-performance liquid chromatography-mass spectrometry.

Hafez, Hani M / Abdel-Halim, Mohammad / Hemdan, Ahmed / Hammam, Mennatallah A

2022 Volume 45, Issue 14, Page(s) 2488–2497

Abstract: The first licensed polymerase inhibitor, baloxavir marboxil was recently approved for the treatment of influenza A and B viruses. Furthermore, there is growing interest in testing the antiviral activity of baloxavir marboxil against Coronavirus. Despite ... ...

Abstract	The first licensed polymerase inhibitor, baloxavir marboxil was recently approved for the treatment of influenza A and B viruses. Furthermore, there is growing interest in testing the antiviral activity of baloxavir marboxil against Coronavirus. Despite its critical clinical value, there is no information on the degradation products, pathways, or kinetics of baloxavir marboxil under various stress conditions. In this study, a new high-performance liquid chromatography-ultraviolet detection method for accurately quantifying baloxavir marboxil in the presence of its degradation products was developed. A study of degradation kinetics revealed that acidic, thermal neutral, and photolytic degradation reactions have zero-order kinetics, whereas basic and oxidative degradation reactions have first-order kinetics. The structural characterization of baloxavir marboxil degradation products was performed by coupling the optimized high-performance liquid chromatography method to the triple-quadrupole tandem mass spectrometer. The proposed approach was validated according to the International Council for Harmonisation Q2 (R1) requirements for accuracy, precision, robustness, specificity, and linearity. The validated new method was successfully used to analyze baloxavir marboxil as raw material and its pharmaceutical dosage form, Xofluza.
MeSH term(s)	Antiviral Agents/therapeutic use ; Chromatography, High Pressure Liquid ; Dibenzothiepins ; Humans ; Influenza, Human/drug therapy ; Mass Spectrometry ; Morpholines ; Oxazines/therapeutic use ; Pyridines ; Pyridones ; Thiepins/therapeutic use ; Triazines
Chemical Substances	Antiviral Agents ; Dibenzothiepins ; Morpholines ; Oxazines ; Pyridines ; Pyridones ; Thiepins ; Triazines ; baloxavir (4G86Y4JT3F)
Language	English
Publishing date	2022-05-20
Publishing country	Germany
Document type	Journal Article
ZDB-ID	2047990-6
ISSN	1615-9314 ; 1615-9306
ISSN (online)	1615-9314
ISSN	1615-9306
DOI	10.1002/jssc.202200020
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article ; Online: Synthesis and evaluation of novel N1-acylated 5-(4-pyridinyl)indazole derivatives as potent and selective haspin inhibitors.

Shawky, Mona M / Abdallah, Mennatallah / Khalifa, Hend / Aboushady, Youssef / Abadi, Ashraf H / Engel, Matthias / Abdel-Halim, Mohammad

Bioorganic chemistry

2024 Volume 145, Page(s) 107235

Abstract: Protein kinase dysregulation was strongly linked to cancer pathogenesis. Moreover, histone alterations were found to be among the most important post-translational modifications that could contribute to cancer growth and development. In this context, ... ...

Abstract	Protein kinase dysregulation was strongly linked to cancer pathogenesis. Moreover, histone alterations were found to be among the most important post-translational modifications that could contribute to cancer growth and development. In this context, haspin, an atypical serine/threonine kinase, phosphorylates histone H3 at threonine-3 and is notably overexpressed in various common cancer types. Herein, we report novel 5-(4-pyridinyl)indazole derivatives as potent and selective haspin inhibitors. Amide coupling at N1 of the indazole ring with m-hydroxyphenyl acetic acid yielded compound 21 with an IC
MeSH term(s)	Intracellular Signaling Peptides and Proteins/metabolism ; Indazoles/pharmacology ; Protein Serine-Threonine Kinases ; Histones/metabolism ; Phosphorylation ; Antineoplastic Agents/pharmacology ; Protein Kinase Inhibitors/pharmacology
Chemical Substances	Intracellular Signaling Peptides and Proteins ; Indazoles ; Protein Serine-Threonine Kinases (EC 2.7.11.1) ; Histones ; Antineoplastic Agents ; Protein Kinase Inhibitors
Language	English
Publishing date	2024-02-20
Publishing country	United States
Document type	Journal Article
ZDB-ID	120080-x
ISSN	1090-2120 ; 0045-2068
ISSN (online)	1090-2120
ISSN	0045-2068
DOI	10.1016/j.bioorg.2024.107235
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Article ; Online: N

Aboelfotouh, Habiba G / Abdallah, Mennatallah / Khalifa, Hend / Aboushady, Youssef / Abadi, Ashraf H / Engel, Matthias / Abdel-Halim, Mohammad

Archiv der Pharmazie

2024 , Page(s) e2400020

Abstract: Haspin and Clk4 are both understudied protein kinases (PKs), offering potential targets for the development of new anticancer agents. Thus, the identification of new inhibitors targeting these PKs is of high interest. However, the inhibitors targeting ... ...

Abstract	Haspin and Clk4 are both understudied protein kinases (PKs), offering potential targets for the development of new anticancer agents. Thus, the identification of new inhibitors targeting these PKs is of high interest. However, the inhibitors targeting haspin or Clk4 developed to date show a poor selectivity profile over other closely related PKs, increasing the risk of side effects. Herein, we present two newly developed N
Language	English
Publishing date	2024-03-13
Publishing country	Germany
Document type	Journal Article
ZDB-ID	6381-2
ISSN	1521-4184 ; 0365-6233 ; 1437-1014
ISSN (online)	1521-4184
ISSN	0365-6233 ; 1437-1014
DOI	10.1002/ardp.202400020
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Article: Advancements in Phosphodiesterase 5 Inhibitors: Unveiling Present and Future Perspectives.

ElHady, Ahmed K / El-Gamil, Dalia S / Abdel-Halim, Mohammad / Abadi, Ashraf H

Pharmaceuticals (Basel, Switzerland)

2023 Volume 16, Issue 9

Abstract: Phosphodiesterase 5 (PDE5) inhibitors presented themselves as important players in the nitric oxide/cGMP pathway, thus exerting a profound impact on various physiological and pathological processes. Beyond their well-known efficacy in treating male ... ...

Abstract	Phosphodiesterase 5 (PDE5) inhibitors presented themselves as important players in the nitric oxide/cGMP pathway, thus exerting a profound impact on various physiological and pathological processes. Beyond their well-known efficacy in treating male erectile dysfunction (ED) and pulmonary arterial hypertension (PAH), a plethora of studies have unveiled their significance in the treatment of a myriad of other diseases, including cognitive functions, heart failure, multiple drug resistance in cancer therapy, immune diseases, systemic sclerosis and others. This comprehensive review aims to provide an updated assessment of the crucial role played by PDE5 inhibitors (PDE5-Is) as disease-modifying agents taking their limiting side effects into consideration. From a medicinal chemistry and drug discovery perspective, the published PDE5-Is over the last 10 years and their binding characteristics are systemically discussed, and advancement in properties is exposed. A persistent challenge encountered with these agents lies in their limited isozyme selectivity; considering this obstacle, this review also highlights the breakthrough development of the recently reported PDE5 allosteric inhibitors, which exhibit an unparalleled level of selectivity that was rarely achievable by competitive inhibitors. The implications and potential impact of these novel allosteric inhibitors are meticulously explored. Additionally, the concept of multi-targeted ligands is critically evaluated in relation to PDE5-Is by inspecting the broader spectrum of their molecular interactions and effects. The objective of this review is to provide insight into the design of potent, selective PDE5-Is and an overview of their biological function, limitations, challenges, therapeutic potentials, undergoing clinical trials, future prospects and emerging uses, thus guiding upcoming endeavors in both academia and industry within this domain.
Language	English
Publishing date	2023-09-06
Publishing country	Switzerland
Document type	Journal Article ; Review
ZDB-ID	2193542-7
ISSN	1424-8247
ISSN	1424-8247
DOI	10.3390/ph16091266
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Article: Kinetic degradation study for the first licensed anti‐influenza polymerase inhibitor, baloxavir marboxil, using high‐performance liquid chromatography‐mass spectrometry

Hafez, Hani M. / Abdel‐Halim, Mohammad / Hemdan, Ahmed / Hammam, Mennatallah A.

Journal of separation science. 2022 July, v. 45, no. 14

2022

Abstract	The first licensed polymerase inhibitor, baloxavir marboxil was recently approved for the treatment of influenza A and B viruses. Furthermore, there is growing interest in testing the antiviral activity of baloxavir marboxil against Coronavirus. Despite its critical clinical value, there is no information on the degradation products, pathways, or kinetics of baloxavir marboxil under various stress conditions. In this study, a new high‐performance liquid chromatography‐ultraviolet detection method for accurately quantifying baloxavir marboxil in the presence of its degradation products was developed. A study of degradation kinetics revealed that acidic, thermal neutral, and photolytic degradation reactions have zero‐order kinetics, whereas basic and oxidative degradation reactions have first‐order kinetics. The structural characterization of baloxavir marboxil degradation products was performed by coupling the optimized high‐performance liquid chromatography method to the triple‐quadrupole tandem mass spectrometer. The proposed approach was validated according to the International Council for Harmonisation Q2 (R1) requirements for accuracy, precision, robustness, specificity, and linearity. The validated new method was successfully used to analyze baloxavir marboxil as raw material and its pharmaceutical dosage form, Xofluza.
Keywords	Orthocoronavirinae ; antiviral properties ; dosage forms ; high performance liquid chromatography ; influenza ; mass spectrometry ; photolysis ; raw materials ; separation ; spectrometers
Language	English
Dates of publication	2022-07
Size	p. 2488-2497.
Publishing place	John Wiley & Sons, Ltd
Document type	Article
Note	JOURNAL ARTICLE
ZDB-ID	2047990-6
ISSN	1615-9314 ; 1615-9306
ISSN (online)	1615-9314
ISSN	1615-9306
DOI	10.1002/jssc.202200020
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Article ; Online: Taurine loaded chitosan-pectin nanoparticle shows curative effect against acetic acid-induced colitis in rats.

Ahmed, Osama / Abdel-Halim, Mohammad / Farid, Alyaa / Elamir, Azza

Chemico-biological interactions

2021 Volume 351, Page(s) 109715

Abstract: Owing to the poor outcomes and adverse side effects of existing ulcerative colitis drugs, the study aimed to develop an alternative nano-based treatment approach. The study was designed to characterize the in vitro and in vivo properties of taurine, ... ...

Abstract	Owing to the poor outcomes and adverse side effects of existing ulcerative colitis drugs, the study aimed to develop an alternative nano-based treatment approach. The study was designed to characterize the in vitro and in vivo properties of taurine, taurine-loaded chitosan pectin nanoparticles (Tau-CS-PT-NPs) and chitosan pectin nanoparticles (CS-PT-NPs) in the therapy of acetic acid (AA)-induced colitis in rats. CS-PT-NPs and Tau-CS-PT-NPs were prepared by ionic gelation method then in vitro characterized, including transmission electron microscopy (TEM), polydispersity index (PDI), zeta potential, Fourier transform infrared (FTIR) spectroscopy, encapsulation efficiency (EE), and drug release profile. Following colitis induction, rats were orally administrated with free taurine, Tau-CS-PT-NPs, and CS-PT-NPs once per day for six days. The sizes of Tau-CS-PT-NPs and CS-PT-NPs were 74.17 ± 2.88 nm and 42.22 ± 2.41 nm, respectively. EE was about 69.09 ± 1.58%; furthermore, 60% of taurine was released in 4 h in simulated colon content. AA-induced colitis in untreated rats led to necrosis of colon tissues and a significant increase in interleukin-1beta (IL-1β), Tumor Necrosis Factor-alpha (TNF-α), myeloperoxidase (MPO), and malondialdehyde (MDA) levels associated with a remarkable reduction in glutathione (GSH) level in colon tissue in comparison to control group. Treatment with taurine, Tau-CS-PT-NPs, and CS-PT-NPs partly reversed these effects. The present study demonstrated that the administration of free taurine, CS-PT-NPs, and Tau-CS-PT-NPs exerted beneficial effects in acetic acid-induced colitis by their anti-inflammatory and antioxidant activities. The best therapeutic effect was observed in animals treated with taurine-loaded chitosan pectin nanoparticles.
MeSH term(s)	Acetic Acid ; Animals ; Anti-Inflammatory Agents/chemistry ; Anti-Inflammatory Agents/therapeutic use ; Chitosan/chemistry ; Colitis/chemically induced ; Colitis/drug therapy ; Colitis/pathology ; Drug Carriers/chemistry ; Drug Liberation ; Male ; Nanoparticles/chemistry ; Oxidative Stress/drug effects ; Pectins/chemistry ; Rats, Wistar ; Taurine/chemistry ; Taurine/therapeutic use ; Rats
Chemical Substances	Anti-Inflammatory Agents ; Drug Carriers ; Taurine (1EQV5MLY3D) ; Pectins (89NA02M4RX) ; Chitosan (9012-76-4) ; Acetic Acid (Q40Q9N063P)
Language	English
Publishing date	2021-10-22
Publishing country	Ireland
Document type	Journal Article
ZDB-ID	218799-1
ISSN	1872-7786 ; 0009-2797
ISSN (online)	1872-7786
ISSN	0009-2797
DOI	10.1016/j.cbi.2021.109715
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Zs.A 686: Show issues

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Article ; Online: The skin delivery of tofacitinib citrate using transethosomes and hybridized ethosomes/nanostructured lipid carriers for vitiligo therapy: Dermatopharmacokinetics and in vivo assays.

Hesham, Heba / Rady, Mai / Hathout, Rania M / Abdel-Halim, Mohammad / Mansour, Samar

International journal of pharmaceutics

2022 Volume 629, Page(s) 122387

Abstract: Vitiligo is an autoimmune disease where its current treatment strategies are lengthy in course and do not guarantee complete cure. Tofacitinib citrate (JAK inhibitor) is a potential cure of vitiligo through halting JAK-STAT pathway preventing the ... ...

Abstract	Vitiligo is an autoimmune disease where its current treatment strategies are lengthy in course and do not guarantee complete cure. Tofacitinib citrate (JAK inhibitor) is a potential cure of vitiligo through halting JAK-STAT pathway preventing the destruction of melanocytes. The dermato-pharmacokinetics of the prepared transethosomes (Et) and the hybridized ethosomes/nanostructured lipid carriers (Eth/NLC), namely formulations; M.E-Cr and M.E-S.M, were evaluated. In addition, in vivo studies on C57/BL6 vitiligo mouse model were conducted to confirm effectiveness of Tofacitinib citrate delivery. The results unveiled that the transethosomes (359.46 ± 11.82 nm) were suitable for dermal delivery while M.E-Cr (179.64 ± 11.16 nm), a hybrid Eth/NLC formulation, was mostly suitable for transdermal delivery. Nevertheless, another hybrid formulation, M.E-S.M (253.60 ± 14.64 nm), was apt for both dermal and transdermal delivery. The histopathology confirmed re-pigmentation of mice skin where formulations Et and M.E-S.M showed severe pigmentation compared to the control healthy and induced mice. On the other hand, M.E-Cr showed mild pigmentation. Immunohistochemical assay was performed to evaluate infiltration of CD 8
MeSH term(s)	Mice ; Animals ; Vitiligo/drug therapy ; Vitiligo/metabolism ; Janus Kinases/metabolism ; Janus Kinases/pharmacology ; Janus Kinases/therapeutic use ; STAT Transcription Factors/metabolism ; STAT Transcription Factors/pharmacology ; STAT Transcription Factors/therapeutic use ; Signal Transduction ; Skin/metabolism ; Lipids/pharmacology ; Drug Carriers/metabolism
Chemical Substances	tofacitinib (87LA6FU830) ; Janus Kinases (EC 2.7.10.2) ; STAT Transcription Factors ; Lipids ; Drug Carriers
Language	English
Publishing date	2022-11-11
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	428962-6
ISSN	1873-3476 ; 0378-5173
ISSN (online)	1873-3476
ISSN	0378-5173
DOI	10.1016/j.ijpharm.2022.122387
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Zs.A 1409: Show issues

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Article ; Online: Novel 9-Benzylaminoacridine Derivatives as Dual Inhibitors of Phosphodiesterase 5 and Topoisomerase II for the Treatment of Colon Cancer.

Ammar, Lina / Lin, Hung-Yu / Shih, Shou-Ping / Tsai, Tsen-Ni / Syu, Yu-Ting / Abdel-Halim, Mohammad / Hwang, Tsong-Long / Abadi, Ashraf H

Molecules (Basel, Switzerland)

2023 Volume 28, Issue 2

Abstract: It has been shown that phosphodiesterase 5 (PDE5) inhibitors have anticancer effects in a variety of malignancies in both in vivo and in vitro experiments. The role of cGMP elevation in colorectal carcinoma (CRC) has been extensively studied. ... ...

Abstract	It has been shown that phosphodiesterase 5 (PDE5) inhibitors have anticancer effects in a variety of malignancies in both in vivo and in vitro experiments. The role of cGMP elevation in colorectal carcinoma (CRC) has been extensively studied. Additionally, DNA topoisomerase II (Topo II) inhibition is a well-established mechanism of action that mediates the effects of several approved anticancer drugs such as doxorubicin and mitoxantrone. Herein, we present 9-benzylaminoacridine derivatives as dual inhibitors of the PDE5 and Topo II enzymes. We synthesized 31 derivatives and evaluated them against PDE5, whereby 22 compounds showed micromolar or sub-micromolar inhibition. The anticancer activity of the compounds was evaluated with the NCI 60-cell line testing. Moreover, the effects of the compounds on HCT-116 colorectal carcinoma (CRC) were extensively studied, and potent compounds against HCT-116 cells were studied for their effects on Topo II, cell cycle progression, and apoptosis. In addition to exhibiting significant growth inhibition against HCT116 cells, compounds
MeSH term(s)	Humans ; Antineoplastic Agents/pharmacology ; Cell Line, Tumor ; Cell Proliferation ; Colonic Neoplasms/drug therapy ; Cyclic Nucleotide Phosphodiesterases, Type 5/metabolism ; DNA Topoisomerases, Type II/metabolism ; Drug Screening Assays, Antitumor ; Molecular Structure ; Structure-Activity Relationship ; Topoisomerase II Inhibitors/pharmacology ; Phosphodiesterase 5 Inhibitors/pharmacology
Chemical Substances	Antineoplastic Agents ; Cyclic Nucleotide Phosphodiesterases, Type 5 (EC 3.1.4.35) ; DNA Topoisomerases, Type II (EC 5.99.1.3) ; Topoisomerase II Inhibitors ; Phosphodiesterase 5 Inhibitors
Language	English
Publishing date	2023-01-14
Publishing country	Switzerland
Document type	Journal Article
ZDB-ID	1413402-0
ISSN	1420-3049 ; 1431-5165 ; 1420-3049
ISSN (online)	1420-3049
ISSN	1431-5165 ; 1420-3049
DOI	10.3390/molecules28020840
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Article ; Online: Novel 6-hydroxybenzothiazol-2-carboxamides as potent and selective monoamine oxidase B inhibitors endowed with neuroprotective activity.

Al-Saad, Omar M / Gabr, Moustafa / Darwish, Sarah S / Rullo, Mariagrazia / Pisani, Leonardo / Miniero, Daniela Valeria / Liuzzi, Grazia Maria / Kany, Andreas M / Hirsch, Anna K H / Abadi, Ashraf H / Engel, Matthias / Catto, Marco / Abdel-Halim, Mohammad

European journal of medicinal chemistry

2024 Volume 269, Page(s) 116266

Abstract: In neurodegenerative diseases, using a single molecule that can exert multiple effects to modify the disease may have superior activity over the classical "one molecule-one target" approach. Herein, we describe the discovery of 6-hydroxybenzothiazol-2- ... ...

Abstract	In neurodegenerative diseases, using a single molecule that can exert multiple effects to modify the disease may have superior activity over the classical "one molecule-one target" approach. Herein, we describe the discovery of 6-hydroxybenzothiazol-2-carboxamides as highly potent and selective MAO-B inhibitors. Variation of the amide substituent led to several potent compounds having diverse side chains with cyclohexylamide 40 displaying the highest potency towards MAO-B (IC
MeSH term(s)	Humans ; Monoamine Oxidase Inhibitors/pharmacology ; Monoamine Oxidase Inhibitors/chemistry ; Neuroprotection ; Neuroblastoma ; Monoamine Oxidase/metabolism ; Neurodegenerative Diseases ; Structure-Activity Relationship
Chemical Substances	Monoamine Oxidase Inhibitors ; Monoamine Oxidase (EC 1.4.3.4)
Language	English
Publishing date	2024-02-28
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.2024.116266
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Zs.B 784: Show issues

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Article ; Online: Development and evaluation of 2,4-disubstituted-5-aryl pyrimidine derivatives as antibacterial agents.

Khalifa, Hend / Rasheed, Sari / Haupenthal, Jörg / Herrmann, Jennifer / Mandour, Yasmine M / Abadi, Ashraf H / Engel, Matthias / Müller, Rolf / Hirsch, Anna K H / Abdel-Halim, Mohammad / Hamed, Mostafa M

Archiv der Pharmazie

2024 Volume 357, Issue 4, Page(s) e2300656

Abstract: Designing novel candidates as potential antibacterial scaffolds has become crucial due to the lack of new antibiotics entering the market and the persistent rise in multidrug resistance. Here, we describe a new class of potent antibacterial agents based ... ...

Abstract	Designing novel candidates as potential antibacterial scaffolds has become crucial due to the lack of new antibiotics entering the market and the persistent rise in multidrug resistance. Here, we describe a new class of potent antibacterial agents based on a 5-aryl-N
MeSH term(s)	Anti-Bacterial Agents/pharmacology ; Anti-Bacterial Agents/chemistry ; Staphylococcus aureus ; Methicillin-Resistant Staphylococcus aureus ; Structure-Activity Relationship ; Bacteria ; Pyrimidines/pharmacology ; Microbial Sensitivity Tests
Chemical Substances	Anti-Bacterial Agents ; Pyrimidines
Language	English
Publishing date	2024-02-02
Publishing country	Germany
Document type	Journal Article
ZDB-ID	6381-2
ISSN	1521-4184 ; 0365-6233 ; 1437-1014
ISSN (online)	1521-4184
ISSN	0365-6233 ; 1437-1014
DOI	10.1002/ardp.202300656
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