Results 211 to 220 of about 192,349 (315)

Is Mycobacterial InhA a Suitable Target for Rational Drug Design?

ChemMedChem, EarlyView.
InhA is the target of isoniazid, a first‐line antituberculosis drug. Isoniazid is, in fact, a prodrug that needs to be activated. Researchers are trying to develop direct inhibitors of InhA. This includes the resolution of crystallographic structures. The Protein Data Bank contains over a hundred InhA structures.
Julien Rizet, Laurent Maveyraud, David Rengel, Valérie Guillet, Gabriel Publicola, Frédéric Rodriguez, Christian Lherbet, Lionel Mourey   +7 more
wiley   +1 more source

Predictable recovery rates in near-surface materials after earthquake damage. [PDF]

Nat Commun
Illien L, Turowski JM, Sens-Schönfelder C, Berenfeld C, Hovius N.   +4 more
europepmc   +1 more source

Novel quinazolinones active against multidrug‐resistant Mycobacterium tuberculosis: synthesis, antimicrobial evaluation and in silico exploration of PonA1 as a potential target

ChemMedChem, Accepted Article.
Quinazolinone derivatives have emerged as promising scaffolds in antimicrobial drug discovery. This work focuses on the design, synthesis, and evaluation of novel quinazolinone‐based compounds and predicts their potential to interact with mycobacterial penicillin‐binding proteins (PBPs).
MAREK KERDA, Daria Nawrot, Petr Slechta, Mirek Domanský, Asal Askari, Hanieh Kamangar, Ondřej Janďourek, Klára Konečná, Pavla Paterová, Ingrid Hlbočanová, Miloslav Macháček, Matteo Mori, Fiorella Meneghetti, Martin Doležal, Jan Zitko, Ghada Bouz   +15 more
wiley   +1 more source

Development of freezing process of phase change materials in cylindrical thermal energy storage tanks with various fin configurations. [PDF]

Sci Rep
Abdollahi SA, Faramarzi S, Azizi Gheshlaghchaei B, Amin SS, Heidarshenas MH, Majidi H, Talati F.   +6 more
europepmc   +1 more source

Beyond Docking: A Multi‐Tier Computational Pipeline for USP7 Inhibitor Optimization

ChemMedChem, Accepted Article.
Ubiquitin‐specific protease 7 (USP7) is a key deubiquitinating enzyme involved in tumor suppression, DNA repair, and epigenetic regulation. Given its critical role in cancer progression, USP7 has emerged as an attractive therapeutic target. In this study, we employed a multi‐tier computational approach, integrating ligand‐based virtual screening ...
Serdar Durdagi, Ehsan Sayyah, Muhammet Eren Ulug, Serdar Durdağı   +3 more
wiley   +1 more source

Ultrafast phonon-mediated dephasing of color centers in hexagonal boron nitride probed by electron beams. [PDF]

Nat Commun
Taleb M, Bittorf PH, Black M, Hentschel M, Sigle W, Haas B, Koch C, van Aken PA, Giessen H, Talebi N.   +9 more
europepmc   +1 more source

Deuterium NMR in Chiral Polymer‐Based Bimesophasic Lyotropic Mixtures: From the Demixing Process to Analytical Applications

Chemistry–Methods, EarlyView.
Bimesophasic lyotropic chiral systems are prepared from polypeptide and polyacetylene helical polymers in organic solvents. Combined with spatially resolved 2H nD NMR experiments, they provide a novel and original tool to collect independent sets of anisotropic quadrupolar data, with potential applications in chemistry dedicated to spectral ...
Thomas Julien, Boris Gouilleux, Bernard Rousseau, Michael Reggelin, Philippe Lesot   +4 more
wiley   +1 more source

Sub pulse length event measurement in BOTDR system using slope assisted Brillouin frequency shift. [PDF]

Sci Rep
Liu S, Zhang J, Ma Z, Xu J, Wang Z, Zhang Y, Zhang M.   +6 more
europepmc   +1 more source

The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise, Saleta Fernández, Kit Joll, Mikhail V. Vaganov, Fátima García, Christiane R. Timmel, Diego Peña, Arzhang Ardavan   +7 more
wiley   +1 more source

Temperature Dependence of Nonlinear Elastic Moduli of Polystyrene. [PDF]

Polymers (Basel)
Belashov AV, Zhikhoreva AA, Beltukov YM, Semenova IV.   +3 more
europepmc   +1 more source