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  1. Article ; Online: Utility of 2-Chloro-

    Salem, Mostafa E / Abdullah, Abbas H / Zaki, Magdi E A / Abdelhamid, Ismail A / Elwahy, Ahmed H M

    ACS omega

    2024  Volume 9, Issue 9, Page(s) 10146–10159

    Abstract: A series of novel thieno[2,3- ...

    Abstract A series of novel thieno[2,3-
    Language English
    Publishing date 2024-02-21
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.3c06653
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Two Novel Regioisomeric Series of Bis-pyrazolines: Synthesis,

    Kassab, Refaie M / Zaki, Magdi E A / Al-Hussain, Sami A / Abdelmonsef, Aboubakr H / Muhammad, Zeinab A

    ACS omega

    2024  Volume 9, Issue 3, Page(s) 3349–3362

    Abstract: ... ...

    Abstract Aims
    Language English
    Publishing date 2024-01-09
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.3c06348
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Unveiling potential repurposed drug candidates for Plasmodium falciparum through in silico evaluation: A synergy of structure-based approaches, structure prediction, and molecular dynamics simulations.

    Das, Abhichandan / Rajkhowa, Sanchaita / Sinha, Subrata / Zaki, Magdi E A

    Computational biology and chemistry

    2024  Volume 110, Page(s) 108048

    Abstract: The rise of drug resistance in Plasmodium falciparum, rendering current treatments ineffective, has hindered efforts to eliminate malaria. To address this issue, the study employed a combination of Systems Biology approach and a structure-based ... ...

    Abstract The rise of drug resistance in Plasmodium falciparum, rendering current treatments ineffective, has hindered efforts to eliminate malaria. To address this issue, the study employed a combination of Systems Biology approach and a structure-based pharmacophore method to identify a target against P. falciparum. Through text mining, 448 genes were extracted, and it was discovered that plasmepsins, found in the Plasmodium genus, play a crucial role in the parasite's survival. The metabolic pathways of these proteins were determined using the PlasmoDB genomic database and recreated using CellDesigner 4.4.2. To identify a potent target, Plasmepsin V (PF13_0133) was selected and examined for protein-protein interactions (PPIs) using the STRING Database. Topological analysis and global-based methods identified PF13_0133 as having the highest centrality. Moreover, the static protein knockout PPIs demonstrated the essentiality of PF13_0133 in the modeled network. Due to the unavailability of the protein's crystal structure, it was modeled and subjected to a molecular dynamics simulation study. The structure-based pharmacophore modeling utilized the modeled PF13_0133 (PfPMV), generating 10 pharmacophore hypotheses with a library of active and inactive compounds against PfPMV. Through virtual screening, two potential candidates, hesperidin and rutin, were identified as potential drugs which may be repurposed as potential anti-malarial agents.
    Language English
    Publishing date 2024-03-02
    Publishing country England
    Document type Journal Article
    ISSN 1476-928X
    ISSN (online) 1476-928X
    DOI 10.1016/j.compbiolchem.2024.108048
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Molecular pathway of pancreatic cancer-associated neuropathic pain.

    Giri, Shweta Subhash / Tripathi, Alok Shiomurti / Erkekoğlu, Pınar / Zaki, Magdi E A

    Journal of biochemical and molecular toxicology

    2024  Volume 38, Issue 4, Page(s) e23638

    Abstract: The pancreas is a heterocrine gland that has both exocrine and endocrine parts. Most pancreatic cancer begins in the cells that line the ducts of the pancreas and is called pancreatic ductal adenocarcinoma (PDAC). PDAC is the most encountered pancreatic ... ...

    Abstract The pancreas is a heterocrine gland that has both exocrine and endocrine parts. Most pancreatic cancer begins in the cells that line the ducts of the pancreas and is called pancreatic ductal adenocarcinoma (PDAC). PDAC is the most encountered pancreatic cancer type. One of the most important characteristic features of PDAC is neuropathy which is primarily due to perineural invasion (PNI). PNI develops tumor microenvironment which includes overexpression of fibroblasts cells, macrophages, as well as angiogenesis which can be responsible for neuropathy pain. In tumor microenvironment inactive fibroblasts are converted into an active form that is cancer-associated fibroblasts (CAFs). Neurotrophins they also increase the level of Substance P, calcitonin gene-related peptide which is also involved in pain. Matrix metalloproteases are the zinc-associated proteases enzymes which activates proinflammatory interleukin-1β into its activated form and are responsible for release and activation of Substance P which is responsible for neuropathic pain by transmitting pain signal via dorsal root ganglion. All the molecules and their role in being responsible for neuropathic pain are described below.
    MeSH term(s) Humans ; Substance P ; Neuralgia/etiology ; Pancreas ; Pancreatic Neoplasms/complications ; Fibroblasts ; Tumor Microenvironment
    Chemical Substances Substance P (33507-63-0)
    Language English
    Publishing date 2024-04-13
    Publishing country United States
    Document type Journal Article ; Review
    ZDB-ID 1410020-4
    ISSN 1099-0461 ; 1095-6670
    ISSN (online) 1099-0461
    ISSN 1095-6670
    DOI 10.1002/jbt.23638
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: New enantioenriched β-indolyl ketones as aromatase inhibitors: Unraveling heme-ligand interactions by MD simulation and MMPBSA analysis.

    Pasha, Maira Hasnain / Gondal, Humaira Yasmeen / Munir, Shanza / Alhussain, Sami A / Zaki, Magdi E A

    Archiv der Pharmazie

    2024  , Page(s) e2400010

    Abstract: A series of enantioenriched β-indolyl ketones as aromatase inhibitors (AI) is synthesized through the Michael-type Friedel-Crafts alkylation of indole. A highly efficient bifunctionalized amino catalyst is developed to access structurally diverse β- ... ...

    Abstract A series of enantioenriched β-indolyl ketones as aromatase inhibitors (AI) is synthesized through the Michael-type Friedel-Crafts alkylation of indole. A highly efficient bifunctionalized amino catalyst is developed to access structurally diverse β-indolyl ketones in high yields (up to 91%) and excellent enantioselectivity (enantiomeric ratio up to 98:2). All the synthesized compounds demonstrated promising aromatase inhibitory potential, where ortho-substituted analogs (3c and 3e) were found most active with IC
    Language English
    Publishing date 2024-04-05
    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.202400010
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article: Halloysite nanotubes-enhanced epoxy acrylate latex emulsion as a novel anticorrosive protective coating for metal surface in 3.5% NaCl solution.

    Asif, Muhammad / Ahmad, Matloob / Saif, Muhammad Jawwad / Anjum, Muhammad Naveed / Zaki, Magdi E A

    Frontiers in chemistry

    2024  Volume 12, Page(s) 1325354

    Abstract: Corrosion is a major problem that can lead to the degradation of metal structures. In this study, we developed a novel corrosion-protective coating for metal substrates based on a modified epoxy acrylate formulation reinforced with halloysite nanotubes ( ... ...

    Abstract Corrosion is a major problem that can lead to the degradation of metal structures. In this study, we developed a novel corrosion-protective coating for metal substrates based on a modified epoxy acrylate formulation reinforced with halloysite nanotubes (HNTs). Epoxy acrylate oligomers were first synthesized through the acrylation of epoxy using acrylic acid, followed by copolymerization with butyl methacrylate/vinyl acetate monomers to produce grafted epoxy acrylates (GEA). HNTs were then incorporated into the polymeric dispersion at weight loadings of 1%, 1.5%, and 2%. The corrosion resistance and waterproofing properties of the coatings were evaluated. The results showed that steel samples coated with HNTs-modified GEA showed no signs of rusting even after 16 days of immersion in a corrosive solution, whereas those coated with GEA alone showed rusting after only 9 days. These results demonstrate the effectiveness of HNTs-modified GEA coatings in protecting steel surfaces against corrosion. The coatings are also water-resistant and can be easily applied. This work provides a new approach to developing corrosion-protective coatings for metal substrates.
    Language English
    Publishing date 2024-03-07
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2024.1325354
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: An investigation of Ca-doped MgO nanoparticles for the improved catalytic degradation of thiamethoxam pesticide subjected to visible light irradiation.

    Khalid, Huma / Haq, Atta Ul / Fawad Zahoor, Ameer / Irfan, Ali / Zaki, Magdi E A

    Scientific reports

    2024  Volume 14, Issue 1, Page(s) 1126

    Abstract: The remediation of pesticides from the environment is one of the most important technology nowadays. Herein, magnesium oxide (MgO) nanoparticles and calcium-doped magnesium oxide (Ca-doped MgO) nanoparticles were synthesized by the co-precipitation ... ...

    Abstract The remediation of pesticides from the environment is one of the most important technology nowadays. Herein, magnesium oxide (MgO) nanoparticles and calcium-doped magnesium oxide (Ca-doped MgO) nanoparticles were synthesized by the co-precipitation method and were used for the degradation of thiamethoxam pesticide in aqueous media. Characterization of the MgO and Ca-doped MgO nanoparticles were performed by XRD, SEM, EDX, and FT-IR analysis to verify the synthesis and variations in chemical composition. The band gap energy and crystalline size of MgO and Ca-doped MgO nanoparticles were found to be 4.8 and 4.7 eV and 33 and 34 nm respectively. The degradation of thiamethoxam was accomplished regarding the impact of catalyst dosage, contact time, temperature, pH, and initial pesticide concentration. The pH study indicates that degradation of thiamethoxam depends on pH and maximum degradation (66%) was obtained at pH 5 using MgO nanoparticles. In contrast, maximum degradation (80%) of thiamethoxam was observed at pH 8 employing Ca-doped MgO nanoparticles. The percentage degradation of thiamethoxam was initially increasing but decreased at higher doses of the catalysts. The degradation of the pesticide was observed to be increased with an increase in contact time while high at room temperature but decreased with a temperature rise. The effect of the initial concertation of pesticide indicates that degradation of pesticide increases at low concentrations but declines at higher concentrations. This research study reveals that doping of MgO nanoparticles with calcium enhanced the degradation of thiamethoxam pesticide in aqueous media.
    Language English
    Publishing date 2024-01-11
    Publishing country England
    Document type Journal Article
    ZDB-ID 2615211-3
    ISSN 2045-2322 ; 2045-2322
    ISSN (online) 2045-2322
    ISSN 2045-2322
    DOI 10.1038/s41598-024-51738-9
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Natural compounds for oxidative stress and neuroprotection in schizophrenia: composition, mechanisms, and therapeutic potential.

    Khan, Anam N / Jawarkar, Rahul D / Zaki, Magdi E A / Al Mutairi, Aamal A

    Nutritional neuroscience

    2024  , Page(s) 1–15

    Abstract: Objective: An imbalance between the generation of reactive oxygen species (ROS) and the body's antioxidant defense mechanisms is believed to be a critical factor in the development of schizophrenia (SCZ) like neurological illnesses. Understanding the ... ...

    Abstract Objective: An imbalance between the generation of reactive oxygen species (ROS) and the body's antioxidant defense mechanisms is believed to be a critical factor in the development of schizophrenia (SCZ) like neurological illnesses. Understanding the roles of ROS in the development of SCZ and the potential activity of natural antioxidants against SCZ could lead to more effective therapeutic options for the prevention and treatment of the illness.
    Methods: SCZ is a mental disorder characterised by progressive impairments in working memory, attention, and executive functioning. In present investigation, we summarized the experimental findings for understanding the role of oxidative stress (OS) in the development of SCZ and the potential neuroprotective effects of natural antioxidants in the treatment of SCZ.
    Results: Current study supports the use of the mentioned antioxidant natural compounds as a potential therapeutic candidates for the treatment of OS mediated neurodegeneration in SCZ.
    Discussion: Elevated levels of harmful ROS and reduced antioxidant defense mechanisms are indicative of increased oxidative stress (OS), which is associated with SCZ. Previous research has shown that individuals with SCZ, including non-medicated, medicated, first-episode, and chronic patients, exhibit decreased levels of total antioxidants and GSH. Additionally, they have reduced antioxidant enzyme levels such as catalase (CAT), glutathione (GPx), and, superoxide dismutase (SOD) and lower serum levels of brain-derived neurotrophic factor (BDNF) in their brain tissue. The mentioned natural antioxidants may assist in reducing oxidative damage in individuals with SCZ and increasing BDNF expression in the brain, potentially improving cognitive function and learning ability.
    Language English
    Publishing date 2024-03-11
    Publishing country England
    Document type Journal Article ; Review
    ZDB-ID 1447449-9
    ISSN 1476-8305 ; 1028-415X
    ISSN (online) 1476-8305
    ISSN 1028-415X
    DOI 10.1080/1028415X.2024.2325233
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: An investigation of Ca-doped MgO nanoparticles for the improved catalytic degradation of thiamethoxam pesticide subjected to visible light irradiation

    Huma Khalid / Atta ul Haq / Ameer Fawad Zahoor / Ali Irfan / Magdi E. A. Zaki

    Scientific Reports, Vol 14, Iss 1, Pp 1-

    2024  Volume 12

    Abstract: Abstract The remediation of pesticides from the environment is one of the most important technology nowadays. Herein, magnesium oxide (MgO) nanoparticles and calcium-doped magnesium oxide (Ca-doped MgO) nanoparticles were synthesized by the co- ... ...

    Abstract Abstract The remediation of pesticides from the environment is one of the most important technology nowadays. Herein, magnesium oxide (MgO) nanoparticles and calcium-doped magnesium oxide (Ca-doped MgO) nanoparticles were synthesized by the co-precipitation method and were used for the degradation of thiamethoxam pesticide in aqueous media. Characterization of the MgO and Ca-doped MgO nanoparticles were performed by XRD, SEM, EDX, and FT-IR analysis to verify the synthesis and variations in chemical composition. The band gap energy and crystalline size of MgO and Ca-doped MgO nanoparticles were found to be 4.8 and 4.7 eV and 33 and 34 nm respectively. The degradation of thiamethoxam was accomplished regarding the impact of catalyst dosage, contact time, temperature, pH, and initial pesticide concentration. The pH study indicates that degradation of thiamethoxam depends on pH and maximum degradation (66%) was obtained at pH 5 using MgO nanoparticles. In contrast, maximum degradation (80%) of thiamethoxam was observed at pH 8 employing Ca-doped MgO nanoparticles. The percentage degradation of thiamethoxam was initially increasing but decreased at higher doses of the catalysts. The degradation of the pesticide was observed to be increased with an increase in contact time while high at room temperature but decreased with a temperature rise. The effect of the initial concertation of pesticide indicates that degradation of pesticide increases at low concentrations but declines at higher concentrations. This research study reveals that doping of MgO nanoparticles with calcium enhanced the degradation of thiamethoxam pesticide in aqueous media.
    Keywords Medicine ; R ; Science ; Q
    Subject code 620
    Language English
    Publishing date 2024-01-01T00:00:00Z
    Publisher Nature Portfolio
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  10. Article ; Online: Chitosan-sulfonic acid-catalyzed green synthesis of naphthalene-based azines as potential anticancer agents.

    Alzahrani, Abdullah Ya / Gomha, Sobhi M / Zaki, Magdi Ea / Farag, Basant / Abdelgawad, Fathy E / Mohamed, Mahmoud A

    Future medicinal chemistry

    2024  Volume 16, Issue 7, Page(s) 647–663

    Abstract: Aim: ...

    Abstract Aim:
    MeSH term(s) Molecular Docking Simulation ; Chitosan ; Antineoplastic Agents/chemistry ; Naphthalenes/pharmacology ; Catalysis
    Chemical Substances Chitosan (9012-76-4) ; Antineoplastic Agents ; Naphthalenes
    Language English
    Publishing date 2024-02-22
    Publishing country England
    Document type Journal Article
    ISSN 1756-8927
    ISSN (online) 1756-8927
    DOI 10.4155/fmc-2023-0351
    Database MEDical Literature Analysis and Retrieval System OnLINE

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