Results 171 to 180 of about 17,208,238 (361)

Test-Time Training Scaling Laws for Chemical Exploration in Drug Design. [PDF]

J Chem Inf Model
Thomas M, Bou A, De Fabritiis G.
europepmc   +1 more source

Examples of the use of interactive computer graphics with real-time energy calculations in studies of protein–ligand interactions and in drug design [PDF]

, 1981
A. A. Chabot, A. J. Geddes, A.C.T. North, Elizabeth Potterton   +3 more
openalex   +1 more source

Exploiting metabolic adaptations to overcome dabrafenib treatment resistance in melanoma cells

Molecular Oncology, EarlyView.
We show that dabrafenib‐resistant melanoma cells undergo mitochondrial remodeling, leading to elevated respiration and ROS production balanced by stronger antioxidant defenses. This altered redox state promotes survival despite mitochondrial damage but renders resistant cells highly vulnerable to ROS‐inducing compounds such as PEITC, highlighting redox
Silvia Eller, Susanne Ebner, Carmen Haselrieder, Julia K. Günther, Astrid Drasche, Sophie Strich, Chiara Volani, Andrea Medici, Aleksandar Nikolajevic, Alex Deltedesco, Johannes E. Sigmund, Michael J. Blumer, Martin Hermann, Johanna Vanacker, Gerald Brandacher, Eduard Stefan, Omar Torres‐Quesada, Jakob Troppmair   +17 more
wiley   +1 more source

The covalent docking software landscape: features and applications in drug design. [PDF]

Brief Bioinform
Singh N, Vayer P, Villoutreix BO.
europepmc   +1 more source

The identification of a novel lead class for phosphodiesterase 2 inhibition by fragment-based drug design

, 2017
Ashley B. Forster, Pravien Abeywickrema, Jaime L. Bunda, Christopher D. Cox, Tamara D. Cabalu, Melissa S. Egbertson, John F. Fay, Krista Getty, Dawn L. Hall, Maria Kornienko, Jun Lu, Gopal Parthasarathy, John C. Reid, Sujata Sharma, William D. Shipe, Sean M. Smith, S.M. Soisson, Shawn J. Stachel, Hua-Poo Su, Deping Wang, Richard Berger   +20 more
openalex   +1 more source

ATF4‐mediated stress response as a therapeutic vulnerability in chordoma

Molecular Oncology, EarlyView.
We screened 5 chordoma cell lines against 100+ inhibitors of epigenetic and metabolic pathways and kinases and identified halofuginone, a tRNA synthetase inhibitor. Mechanistically halofuginone induces an integrated stress response, with eIF2alpha phosphorylation, activation of ATF4 and its target genes CHOP, ASNS, INHBE leading to cell death ...
Lucia Cottone, James Dunford, Eleanor Calcutt, Vicki Gamble, Filiz Senbabaoglu Aksu, Lorena Ligammari, Georgina Wherry, Giorgia Gaeta, John C. Christianson, Adrienne M. Flanagan, Udo Oppermann, Adam P. Cribbs   +11 more
wiley   +1 more source

AI-driven antimicrobial peptide characterization unveils novel motifs for drug design. [PDF]

Sci Rep
Padi S, Mondal K, Hoogerheide DP, Heinrich F, Mihailescu M, Klauda JB, Cardone A.   +6 more
europepmc   +1 more source

Developing evidence‐based, cost‐effective P4 cancer medicine for driving innovation in prevention, therapeutics, patient care and reducing healthcare inequalities

Molecular Oncology, EarlyView.
The cancer problem is increasing globally with projections up to the year 2050 showing unfavourable outcomes in terms of incidence and cancer‐related deaths. The main challenges are prevention, improved therapeutics resulting in increased cure rates and enhanced health‐related quality of life.
Ulrik Ringborg, Joachim von Braun, Julio Celis, Anton Berns, Michael Baumann, Tit Albreht, Nancy Abou‐Zeid, Vanderlei Bagnato, Christian Brandts, Chien‐Jen Chen, Massimiliano di Pietro, Manjit Dosanjh, Thomas Dubois, Alexander Eggermont, Angelika Eggert, Ingemar Ernberg, Sara Faithfull, Johannes Förner, Stefan Fröhling, Manuel Heitor, Leroy Hood, Wei Jiang, Bengt Jönsson, Ravi Kannan, Maria Leptin, Su Li, Peter Lindgren, Douglas Lowy, Jun Ma, Alex Markham, Péter Nagy, Simon Oberst, M. Iqbal Parker, Danielle Rodin, Kevin Ryan, Joachim Schüz, Richard Sullivan, Josep Tabernero, Peter Turkson, Oliver Várhelyi, Harold Varmus, Chijie Wang, Elisabete Weiderpass, Nils Wilking   +43 more
wiley   +1 more source

Transformer Learning in Sequence-Based Drug Design Depends on Compound Memorization and Similarity of Sequence-Compound Pairs. [PDF]

Mol Inform
Bajorath J.
europepmc   +1 more source

Design and testing of a device for drug infusion and collection of continuous or batch cerebrospinal fluid (CSF) in rats: Pharmacokinetic study of CSF fluorescein injected intravenously and infused minocycline

, 2015
Carlos Valdes, José Luís Martínez, Claudio Laurido   +2 more
openalex   +1 more source