Mariusz Jaremko

King Abdullah University of Science and Technology

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Abdul‐Hamid Emwas

King Abdullah University of Science and Technology

144

ŁJ

Łukasz Jaremko

King Abdullah University of Science and Technology

130

Markus Zweckstetter

Max Planck Institute for Multidisciplinary Sciences

Joanna Izabela Lachowicz

University of Cagliari

Kamal A. Qureshi

Qassim University

Bandar A. Babgi

King Abdulaziz University

Mostafa A. Hussien

King Abdulaziz University

Stefan Becker

Max Planck Institute for Multidisciplinary Sciences

Bambar Davaasuren

King Abdullah University of Science and Technology

Piotr Stefanowicz

University of Wrocław

Cooperative Institutions

King Abdullah University of Science and Technology

105

Alexandria University

King Abdulaziz University

King Saud University

University of Wrocław

University of Cagliari

University of Agriculture Faisalabad

Zagazig University

King Khalid University

Jeddah University

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Folding of Tau on microtubules.

Angewandte Chemie (2015)

Harindranath Kadavath Mariusz Jaremko Łukasz Jaremko Jacek Biernat Eva‐Maria Mandelkow

Folding (DSP implementation)

10.1002/anie.201501714/epdf

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Citations (1)

Dna-binding and antiproliferative properties of Palladium(II) complexes with tridentate ligands

Inorganica Chimica Acta (2023)

Kamelah S. Alrashdi Bandar A. Babgi Ehab M. M. Ali Bambar Davaasuren Abdul‐Hamid Emwas

Binding constant

10.1016/j.ica.2023.121851

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Citations (3)

CCDC 2096540: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Mohamed M. El‐bendary Tamer S. Saleh Mansour M. Alomari Ehab M. M. Ali Bambar Davaasuren

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc28cmbm

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Synthesis, structure characterization and antitumor activities of copper and cobalt thiocyanate complexes with 3-acetlpyridine ligand

Polyhedron (2023)

Mohamed M. El‐bendary Abdullah Akhdhar Ehab M. M. Ali Abdulaziz A. Kalantan Bambar Davaasuren

Thiocyanate

10.1016/j.poly.2023.116511

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Citations (7)

The Binding Mode of a Tau Peptide with Tubulin

Angewandte Chemie International Edition (2018)

Harindranath Kadavath Yunior Cabrales Fontela Mariusz Jaremko Łukasz Jaremko Kerstin Overkamp

The microtubule-associated protein Tau promotes the polymerization of tubulin and modulates the function of microtubules. As a consequence of the dynamic nature of the Tau-tubulin interaction, the structural basis of this complex has remained largely elusive. By using NMR methods optimized for ligand-receptor interactions in combination with site-directed mutagenesis we demonstrate that the flanking domain downstream of the four microtubule-binding repeats of Tau binds competitively to a site on the α-tubulin surface. The binding process is complex, involves partial coupling of different interacting regions, and is modulated by phosphorylation at Y394 and S396. This study strengthens the hypothesis of an intimate relationship between Tau phosphorylation and tubulin binding and highlights the power of the INPHARMA NMR method to characterize the interaction of peptides derived from intrinsically disordered proteins with their molecular partners.

Tau protein

Microtubule polymerization

10.1002/anie.201712089

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Citations (53)

Potential Anticancer Activities and Catalytic Oxidation Efficiency of Platinum(IV) Complex

Molecules (2022)

Mohamed M. El‐bendary Tamer S. Saleh Mansour M. Alomari Ehab M. M. Ali Bambar Davaasuren

The treatment of an aqueous acetonitrile solution of chloroplatinic acid hydrate H2PtCl6.xH2O and pyridine-2-carbaldehyde-oxime (paOH) in the presence of potassium thiocyanate at room temperature (25°) led to the formation of a new Pt(IV) complex with the formula [Pt(SCN)2(paO)2], (1). Complex 1 was fully characterized by FT-IR, UV-vis and NMR spectroscopic techniques as well as elemental analysis. The crystallographic structure of complex 1 was obtained by single-crystal X-ray diffraction. The structure of complex 1 consists of a distorted octahedral geometrical environment around the platinum center in which the coordination sites are occupied by two terminal thiocyanate ligands in trans arrangement and two bidentate paO ligands through four nitrogen atoms. In addition, the in vitro evaluation of the cytotoxicity of platinum complex 1 against four different cancer cell lines was performed. The IC50 values for colon (HCT116), liver (HepG2), breast (MCF-7) and erythroid (JK-1) treated with complex 1 are 19 ± 6, 21 ± 5, 22 ± 6, and 13 ± 3 μM, respectively. In HCT116 cells treated with the IC50 dose of our title compound, apoptosis and necrosis were increased by 34% and 27.8%, respectively. Cells halted in the proliferative phase (S phase) to 21.7 % and 29.8% in HCT116 and HepG2 cells treated with complex 1 have anti-proliferative actions. Furthermore, the catalytic activity of synthesized complex 1 was examined in the oxidation reaction of benzyl alcohols in the presence of an oxidant. Finally, the luminescence behavior of complex 1 was investigated.

Thiocyanate

Octahedral molecular geometry

HeLa

Chloroplatinic acid

10.3390/molecules27144406

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Methods of Extraction, Detection, and Identification of Different Metabolites—A Metabolomics Approach

Giulia Bennici Devi Permatasari Inas Al-Younis Manel Dhahri Frederico Garcia Pinto

Identification

10.1007/978-981-96-1305-2_3

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Exploring the central region of amylin and its analogs aggregation: the influence of metal ions and residue substitutions

Frontiers in Chemistry (2024)

Mawadda Alghrably Giulia Bennici Gabriela Szczupaj Noura Alasmael Somayah Qutub

Human amylin (hIAPP) is found in the form of amyloid deposits within the pancreatic cells of nearly all patients diagnosed with type 2 diabetes mellitus (T2DM). However, rat amylin (rIAPP) and pramlintide - hIAPP analogs - are both non-toxic and non-amyloidogenic. Their primary sequences exhibit only slight variations in a few amino acid residues, primarily concentrated in the central region, spanning residues 20 to 29. This inspired us to study this fragment and investigate the impact on the aggregation properties of substituting residues within the central region of amylin and its analogs. Six fragments derived from amylin have undergone comprehensive testing against various metal ions by implementing a range of analytical techniques, including Nuclear Magnetic Resonance (NMR) spectroscopy, Thioflavin T (ThT) assays, Atomic Force Microscopy (AFM), and cytotoxicity assays. These methodologies serve to provide a thorough understanding of how the substitutions and interactions with metal ions impact the aggregation behavior of amylin and its analogs.

Amylin

Amyloid (mycology)

Thioflavin

Residue (chemistry)

10.3389/fchem.2024.1419019

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Citations (2)

CCDC 1966020: Experimental Crystal Structure Determination

The Cambridge Structural Database (2020)

Joanna Fedorowicz Marek Cebrat Magdalena Wierzbicka Paulina Wiśniewska Aleksandra Jalińska

10.5517/ccdc.csd.cc23zt0y

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New Liquid Crystal Assemblies Based on Cyano-Hydrogen Bonding Interactions

Frontiers in Chemistry (2021)

Mohamed Hagar Hoda A. Ahmed Rua B. Alnoman Mariusz Jaremko Abdul‐Hamid Emwas

A new selection of supramolecular liquid crystal complexes based on complementary molecules formed via hydrogen-bonding interactions is reported. All prepared complexes were prepared from 4-n-alkoxybenzoic acid (An) and N-4-cyanobenzylidene-4-n-(hexyloxy)benzenamine (I). FT-IR, temperature gradient NMR, Mass Spectrometer and Chromatography spectroscopy were carried out to confirm the -CN and -COOH H-bonded complexation by observing their Fermi-bands and the effects of the 1H-NMR signals as well as its elution signal from HPLC. Moreover, binary phase diagrams were established for further confirmation. All formed complexes (I/An) were studied by the use of differential scanning calorimetry and their phase properties were validated through the use of polarized optical microscopy Results of mesomorphic characterization revealed that all presented complexes exhibited enantiotropic mesophases and their type was dependent on the terminal lengths of alkoxy chains. Also, the mesomorphic temperature ranges decreased in the order I/A6 > I/A8 > I/A10 > I/A16 with linear dependency on the chain length. Finally, the density functional theory computational modeling has been carried out to explain the experimental findings. The relation between the dimensional parameters was established to show the effect of the aspect ratio on the mesophase range and stability. The normalized entropy of the clearing transitions (∆S/R) was calculated to illustrate the molecular interaction enhancements with the chain lengths.

Proton NMR

10.3389/fchem.2021.679885

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Citations (20)