Results 231 to 240 of about 193,408 (316)

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

Measurement and Decoupling of Hygrothermal-Mechanical Effects with Optical Fibers: Development of a New Fiber Bragg Grating Sensor. [PDF]

Sensors (Basel)
Aceti P, Calervo L, Bettini P, Sala G.
europepmc   +1 more source

Novel Quinazolinones Active against Multidrug‐Resistant Mycobacterium Tuberculosis: Synthesis, Antimicrobial Evaluation, and in Silico Exploration of Penicillin‐Binding Protein 1A as a Potential Target

ChemMedChem, EarlyView.
Quinazolinone‐based compounds emerge as potent antimycobacterial agents, showing low minimum inhibitory concentrations against drug‐resistant Mycobacterium tuberculosis. Molecular modeling uncovers a novel allosteric site in PonA1 targeted by these derivatives.
Marek Kerda, Daria Nawrot, Petr Šlechta, Miroslav 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

Liquid-like versus stress-driven dynamics in a metallic glass former observed by temperature scanning X-ray photon correlation spectroscopy. [PDF]

Nat Commun
Frey M, Neuber N, Riegler SS, Cornet A, Chushkin Y, Zontone F, Ruschel LM, Adam B, Nabahat M, Yang F, Shen J, Westermeier F, Sprung M, Cangialosi D, Di Lisio V, Gallino I, Busch R, Ruta B, Pineda E.   +18 more
europepmc   +1 more source

Beyond Docking: A Multitier Computational Pipeline for USP7 Inhibitor Optimization

ChemMedChem, EarlyView.
A multitier computational strategy discovers potential USP7 inhibitors using similarity‐based virtual screening, physics‐driven molecular simulations, binding free energy estimations, binary QSAR modeling, and steered molecular dynamics analysis. This integrated approach prioritizes and optimizes lead compounds with strong predicted affinity, offering ...
Ehsan Sayyah, Muhammet Eren Ulug, Serdar Durdağı   +2 more
wiley   +1 more source

Superfluorescent upconversion nanoparticles as an emerging second generation quantum technology material.

Nanoscale Horiz
MacKenzie LE, Kirton P.
europepmc   +1 more source

Investigation of Constitutive Models for Pressure Monitoring of Viscoelastic-Hyperelastic Composite Structures. [PDF]

Polymers (Basel)
Ai L, Li P, Yuan H, Tian C, Qiang X, Fu T.   +5 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

Enhanced Vernier Effect in Cascaded Fiber Loop Interferometers for Improving Temperature Sensitivity. [PDF]

Sensors (Basel)
Zhou J, Zhi Y, Zhang J, Yao J, Zhang J, Zhang J.   +5 more
europepmc   +1 more source

Tuning the Growth Pattern of Triangular Silver Nanoplates from Lateral to Vertical by Secondary Metal Addition

ChemPhysChem, Volume 26, Issue 6, March 15, 2025.
What happens, if in the synthesis of flat silver platelets, the slow deposition of silver along twinning faults is disturbed by the addition of a nobler metal? We have looked into it and found a way to fine‐tune the metal deposition in lateral and vertical direction.
Jonas Kluitmann, Andrea Csáki, Wolfgang Fritzsche, Johann Michael Köhler   +3 more
wiley   +1 more source