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New tetrahydroisoquinoline-4-carbonitrile derivatives as potent agents against cyclin-dependent kinases, crystal structures, and computational studies

Research Authors
Youness El Bakri, Subramani Karthikeyan, Chin-Hung Lai, Etify A Bakhite, Iqrar Ahmad, Abdu E Abdel-Rahman, Suzan Abuelhassan, Islam S Marae, Shaaban K Mohamed, Joel T Mague
Research Date
Research Department
Research Journal
Journal of Biomolecular Structure and Dynamics
Research Year
2024

Investigation of synthesis, spectroscopic characterization, crystal structure, and computational studies of 3-(4-(dimethylamino)phenyl)-1,5-di(thiophen-2- yl)pentane-1,5-dione as potent against Cathepsin S

Research Abstract
The chief purpose of this work was to synthesize and characterize 3-(4-(dimethylamino)phenyl)-1,5-di(thiophen-2-yl)pentane-1,5-dione (4) whose structure was subsequently confirmed by single-crystal X-ray analysis. This molecule adopts a conformation approximating a three-bladed fan. In the crystal, C–H···O and C–H···S hydrogen bonds, together with C–H···π(ring) interactions form corrugated layers parallel to the bc plane. Electronic structure calculations were performed at the ωB97xd/def2tzvp level to explore the reactivity and topology of the molecule. Quantum theory of atoms in molecule (QTAIM) and NBO studies provide bonding characteristics and the extent of charge transfer with orbital energies computed from FMO theory together with optical and nonlinear optical (NLO) properties. A Hirschfeld surface analysis was performed to explore the nature of interactions in the crystal packing and the dispersion …

 
Research Authors
Walid Sharmoukh, Atazaz Ahsin, Subramani Karthikeyan, Shaaban K Mohamed, Islam S Marae, Etify A Bakhite, Abdelhamid AE Soliman, Maha GM Gahtan, Hatem A Abuelizz, Rashad Al-Salahi, Joel T Mague, Youness El Bakri
Research Date
Research Department
Research Journal
Journal of Sulfur Chemistry
Research Pages
Pages 55-79
Research Publisher
Taylor & Francis
Research Vol
Volume 46 - Issue 1
Research Website
https://scholar.google.com.eg/scholar?oi=bibs&cluster=4441200887983093984&btnI=1&hl=en
Research Year
2024

Nanoscale dynamics of Dynamin 1 helices reveals squeeze-twist deformation mode critical for membrane fission

Research Authors
Yuliang Zhang, Javier Vera Lillo, Mahmoud Shaaban Mohamed Abdelrasoul, Yaqing Wang, Pedro Arrasate, Vadim A Frolov, Aleksandr Noy
Research Date
Research Department
Research Journal
Proceedings of the National Academy of Sciences
Research Publisher
National Academy of Sciences
Research Year
2024

Rational Design of a Copper(I) Complex Derived from an Asymmetric Thiourea Ligand with High Antifungal Activities

Research Abstract

The reaction of 1-(2,5-dimethylphenyl)-3-phenylthiourea (L) and copper(II) chloride dihydrate resulted in production of the complex [CuL2Cl] which contains monovalent copper. The complex was isolated in the monoclinic crystal system (space group = C 1 2/c 1) and its coordination geometry is trigonal planar composed of one chlorine and two sulfur atoms. The complex (150 µg/mL) provided significant inhibitory activity (40.5 mm) against the phytopathogen Fusarium oxysporum and led to complete inhibition of F. oxysporum-induced pathogenicity to wheat seeds. Percentages of wheat germination, evidence of phytotoxicity levels, were investigated: [CuL2Cl] (150 µg/mL) offered percent germination of 67%, but the ligand was less toxic offering percentage of germination of 77%. Reduction in shoot lengths (control = 41 mm) and root lengths (control = 54.3 mm) of germinated wheat seeds influenced by our compounds was cleared. At 150 µg/mL, 1-(2,5-dimethylphenyl)-3-phenylthiourea, copper(II) chloride dehydrate, and [CuL2Cl] offered shoot lengths of 26.3, 9.6, and 29.3 mm and root lengths of 34.7, 0, and 26.6 mm, respectively.

Research Authors
Hanan K. Mosbah, Aref A. M. Aly, Amna S. A. Zidan, Ahmed B. M. Ibrahim, S. Mark Roe, Ghada Abd-Elmonsef Mahmoud
Research Date
Research Journal
ChemistrySelect
Research Member
Research Pages
e03254
Research Publisher
© 2025 John Wiley & Sons Ltd.
Research Rank
International Q1
Research Vol
34
Research Year
2025

Insights into structural and spectral properties of cobalt (II) complexes bearing asymmetric thiourea ligands and their remarkable bioactivities against Gram negative bacteria

Research Abstract

A major number of sulfur compounds including derivatives of thiourea is medicinally important agents and metal
complexes of thioureas are often more medicinally active. Monoisopropylamine and m-toluidine, as aliphatic and
aromatic amines, were used to prepare monodentate thiourea ligands [1-isopropyl-3-phenylthiourea (L1) and 1-
phenyl-3-m-tolylthiourea (L2), respectively] and single crystals of cobalt complexes incorporating these ligands
were also isolated. These tetrahedral complexes, [Co(L1)2Cl2] and [Co(L2)2Cl2], were demonstrated in different
lattice packings (orthorhombic and monoclinic, respectively). To characterize the antibacterial patterns (percent
growth inhibitions and percent viability inhibitions) of these compounds, the activities of dimethyl sulfoxide
solutions (50–200 μg/ml) of them against Gram negative bacterial strains (i.e., Klebsiella pneumoniae, Pseudo-
monas aeruginosa and Serratia marcescens) were determined. Chloramphenicol (CHL) was used as the commercial
standard. At 200 μg/ml, the complex Co-L1 inhibited these bacteria by 94.9, 92.2 and 69.8 % and Co-L2 inhibited
them by 86.0, 87.0 and 78.3 % (92.1, 86.6 and 72.3 % by CHL), respectively. Furthermore, [Co(L1)2Cl2] and [Co
(L2)2Cl2] offered bactericidal action with 100 % viability inhibition against Klebsiella pneumoniae, but the action
was bacteriostatic with 72.3–96.2 % and 84.4–96.9 % viability inhibitions against Pseudomonas aeruginosa and
Serratia marcescens, respectively.

Research Authors
Hanan K. Mosbah a, Aref A.M. Aly a, Amna S.A. Zidan a, S. Mark Roe b, Ghada Abd-Elmonsef Mahmoud c, Ahmed B.M. Ibrahim
Research Date
Research Journal
Inorganic Chemistry Communications
Research Member
Research Pages
115143
Research Publisher
َ@ ELSIEVER
Research Rank
International Q1
Research Vol
181
Research Year
2025

Metal–Organic Framework (MOF)-Derived Mn2O3@C for Sustainable Hydrogen Generation and Antibacterial Efficacy Against Human Pathogenic Bacteria

Research Abstract

Hydrogen gas has been regarded as one of the most promising energy sources. Hydrolysis of hydrides is one of the methods for
producing hydrogen that has been documented. However, efficient catalysts are necessary to increase the rate at which hydrogen
is generated. In the current investigation, Mn 2 O3 @C derived from metal–organic framework (MOF) was used, for the first time,
as an efficient catalyst for the green generation of H 2 —a clean and sustainable fuel—from the hydrolysis of NaBH4 . In addition,
the biological performances of this nanocatalyst towards six types of human pathogenic bacteria were also tested. Mn 2 O3 @C was
fabricated from the carbonization of manganese(II) benzene-dicarboxylate metal–organic frameworks (Mn-BDC). The fabricated
catalyst was characterized by XRD, XPS, FTIR, HRTEM, and nitrogen sorption analyses. XRD and XPS analyses confirmed the
successful formation of Mn 2 O3 @C at a calcination temperature of 400 °C. Results revealed that, at a reaction temperature of
28 °C, Mn 2 O3 @C offers values of hydrogen generation rate (HGR) of 150, 352, 555, 885, and 1250 mL min−1 g−1 corresponding to
weight of NaBH4 of 0.19, 0.3, 0.5, 0.7, and 1.0 g, respectively. Furthermore, the catalytic performance is significantly influenced by
the reaction temperature; where at 28, 35, 40, and 50 °C, respectively, HGR values of 885, 1150, 1667, and 2857 mL min−1 g−1 were
achieved. According to the pseudo-first-order equation, Mn 2 O3 @C has an estimated apparent activation energy of 41.5 kJ mol−1 .
Moreover, thermodynamic calculations showed that borohydride hydrolyzes over Mn 2 O3 @C in an endothermic, entropy-driven,
and spontaneous manner. The antibacterial properties of Mn 2 O3 @C NPs were tested against six pathogenic bacteria: Escherichia
coli, Klebsiella pneumoniae, Serratia plymuthica, Bacillus cereus, B. subtilis, and Staphylococcus aureus. Mn 2 O3 @C NPs showed
high antibacterial properties, especially at 150 μg mL−1 concentration, with growth inhibition of 82.3%, 73.8%, 72.7%, and 71.8%
of S. aureus, E. coli, B. subtilis, and B. cereus, compared with 67%, 58.2%, 56.6%, and 61.4% of chloramphenicol, respectively

Research Authors
Mohamed N. Goda 1 | Laila S. Alqarni1 | Mohamed Khairy1 | Babiker Y. Abdulkhair1 | Ghada Abd-Elmonsef Mahmoud
Research Date
Research Journal
Applied Organometallic Chemistry
Research Member
Research Pages
e70326
Research Publisher
© 2025 John Wiley & Sons Ltd.
Research Rank
International Q1
Research Vol
39
Research Year
2025

Broad-spectrum resistance to fungal foliar diseases in wheat: recent efforts and achievements

Research Abstract

Wheat (Triticum spp.) is one of the most important cereal crops in the world. Several diseases affect wheat production and can cause 20-80% yield loss annually. Out of these diseases, stripe rust, also known as yellow rust (Puccinia striiformis f. sp. tritici), stem rust (Puccinia graminis f. sp. tritici), leaf rust (Puccinia recondita), and powdery mildew (Blumeria graminis f. sp. tritici) are the most important fungal diseases that infect the foliar part of the plant. Many efforts were made to improve wheat resistance to these diseases. Due to the continuous advancement in sequencing methods and genomic tools, genome-wide association study has become available worldwide. This analysis enabled wheat breeders to detect genomic regions controlling the resistance in specific countries. In this review, molecular markers significantly associated with the resistance of the mentioned foliar diseases in the last five years were reviewed. Common markers that control broad-spectrum resistance in different countries were identified. Furthermore, common genes controlling the resistance of more than one of these foliar diseases were identified. The importance of these genes, their functional annotation, and the potential for gene enrichment are discussed. This review will be valuable to wheat breeders in producing genotypes with broad-spectrum resistance by applying genomic selection for the target common markers and associated genes.

Research Authors
Amira M.I. Mourad, Asmaa A.M. Ahmed, Stephen P Beanziger, Andreas Börner, Ahmed Sallam
Research Date
Research Journal
Frontiers in Plant Science
Research Year
2024

Surface forces of asymmetrically grown polyelectrolyte multilayers: searching for the charges

Research Abstract

Surface forces are used to investigate the polymer conformation and the surface charge of polyelectrolyte multilayers. Films are prepared from strong polyelectrolytes with low and high linear charge density at 0.1 M NaCl, namely poly(diallyldimethylammonium) (PDADMA) and poly(styrenesulfonate) (PSS). The multilayer has two growth regimes: in the beginning, the film can contain as many positive as negative monomers. After about 15 deposited layer pairs, a linear growth regime characterized by an excess of cationic PDADMA monomers occurs. Independent of the film composition, at preparation conditions, the film surface is flat, uncharged and partially hydrophobic. Surface force measurements at decreased ionic strength provide insight. For PSS-terminated films electrostatic forces are found. At the beginning of multilayer formation, the surface charge density is negative. However, in the linear growth regime it is positive and low (one charge per 200−400 nm2). This reversal of surface charge density of PSS-terminated films is attributed to excess PDADMA-monomers within the film. PDADMA terminated films show steric forces, chains protrude into the solution and form a pseudobrush, which scales as a polyelectrolyte brush with a low grafting density (1900 nm2 per chain). We suggest a model of polyelectrolyte multilayer formation: PDADMA with its low linear charge density adsorbs with weakly bound chains. Monovalent anions within the film compensate PDADMA monomer charges. When PSS adsorbs onto a PDADMA-terminated multilayer, PSS monomers replace monovalent anions. While electrostatic bonds are formed and dissolved within the polyelectrolyte multilayer, the surface charge density remains zero.

Research Authors
Heba S Mohamad, Sven Neuber, Christiane A Helm
Research Date
Research Department
Research Journal
Langmuir
Research Year
2019

Rational Design of Donor–Acceptor (DA) Conjugated Microporous Polymers Containing Thienopyrene and Triazine Building Units for Enhanced Photocatalytic Hydrogen Production

Research Abstract

Conjugated microporous polymers (CMPs) represent a rapidly advancing group of metal-free organic photocatalysts, offering a sustainable route for hydrogen (H2) generation through photocatalytic water splitting. Their intrinsic permanent porosity, combined with extended π-conjugation and large surface areas, enables superior light harvesting, efficient exciton dissociation, and accelerated molecular diffusion—key attributes for effective photocatalytic systems. In this study, two newly developed CMPs—Py–Thio–Tri CMP and Py–Thio–PyD CMP—were synthesized and subjected to rigorous physicochemical characterization to investigate their photocatalytic performance. Nitrogen adsorption–desorption measurements were employed to determine their porosity. The chemical structures and functional group integrity were validated via Fourier-transform infrared (FT-IR) spectroscopy. Photocatalytic evaluations demonstrate that Py–Thio–Tri CMP exhibits markedly superior hydrogen evolution activity compared to Py–Thio–PyD CMP. Specifically, Py–Thio–Tri CMP achieves an initial hydrogen generation rate (HGR) of 1100 μmol h−1 g−1 within the first hour of irradiation, substantially surpassing the 182 μmol h−1 g−1 recorded for Py–Thio–PyD CMP under similar circumstances. Upon incorporation of 3 wt % cobalt (Co) as a cocatalyst, the HGRs further increased to 1242 and 249 μmol h−1 g−1 for Py–Thio–Tri CMP and Py–Thio–PyD CMP, respectively. Additionally, transient photocurrent response and electrochemical impedance spectroscopy (EIS) measurements corroborate Py–Thio–Tri CMP enhanced photogenerated carrier mobility and suppressed charge recombination dynamics.

Research Authors
Shymaa Mostafa Ebrahium, Yang-Chin Kao, Haitham M El-Bery, Osama Younis, Ahmed AK Mohammed, Kamal I Aly, Shiao-Wei Kuo, Mohamed Gamal Mohamed
Research Date
Research Department
Research File
Research Journal
Journal of Molecular Structure
Research Pages
143476
Research Publisher
Elsevier.
Research Rank
Q2
Research Vol
Volume 1348, Part 1
Research Website
https://www.sciencedirect.com/science/article/pii/S002228602502143X
Research Year
2025
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