Results 91 to 100 of about 665 (203)

Menin inhibitor MI-503 exhibits potent anti-cancer activity in osteosarcoma

Scientific Reports
Small molecule Menin inhibitor recently has emerged as a new therapeutic by targeting the interaction of histone methyltransferase MLL1 (KMT2A) with Menin. MLL1 is associated with aggressive osteosarcoma (OS) in young adults.
Shen Tian, Zhuang-Yu Hao, Deng-Hui Xu, Xuan-Zong Wang, Cheng-Cheng Shi, Yi Zhang   +5 more
doaj   +1 more source

Workflow for Design of Experiments‐Based Modeling of Species Transport and Growth Kinetics in GaN Hydride Vapor Phase Epitaxy

Advanced Engineering Materials, EarlyView.
A novel workflow for investigating hydride vapor phase epitaxy for GaN bulk crystal growth is proposed. It combines Design of experiments (DoE) with physical simulations of mass transport and crystal growth kinetics, serving as an intermediate step between DoE and experiments.
J. Tomkovič, G. Lukin, H. Torkashvand, A. Kerschbaum, M. Müller, S. Besendörfer, J. Heitmann, J. Friedrich   +7 more
wiley   +1 more source

Quantitative target engagement of RIPK1 in human whole blood via the cellular thermal shift assay for potential pre-clinical and clinical applications

SLAS Discovery
The cellular thermal shift assay (CETSA®) is a target engagement method widely used for preclinical characterization of small molecule compounds. CETSA® has been used for semi-quantitative readouts in whole blood with PBMC isolation, and quantitative ...
Shitalben Patel, Marie Karlsson, Joseph T. Klahn, Frank Gambino, Jr., Helena Costa, Kathleen A. McGuire, Christina K. Baumgartner, Jon Williams, Sarah Sandoz, James E. Kath   +9 more
doaj   +1 more source

Ontology‐Aligned Structuring and Reuse of Multimodal Materials Data and Workflows Toward Automatic Reproduction

Advanced Engineering Materials, EarlyView.
Reproduction of stacking fault energy calculations from literature with a semi‐automated large language model‐assisted extraction procedure: extraction of simulation protocol, atomistic structures, computational parameters, and reported results, ontology alignment, knowledge graph construction and, finally, recomputation forvalidation.
Sepideh Baghaee Ravari, Abril Azocar Guzman, Sarath Menon, Stefan Sandfeld, Tilmann Hickel, Markus Stricker   +5 more
wiley   +1 more source

Development of a fluorescence-based excipient screening for improved stability and shelf-life of recombinant chitin deacetylase

Biochemistry and Biophysics Reports
Chitin deacetylase (CDA) modifies chitin into chitosan by removing acetyl groups, but its inherent instability poses a challenge for successful crystallisation.
Goutam Mohan Pawaskar, Ritu Raval
doaj   +1 more source

Inverse Identification of Energy‐Dependent Laser Absorptivity in NiTi Laser Powder‐Bed Fusion via Calibrated Melt Pool Simulation

Advanced Engineering Materials, EarlyView.
A combined experimental–computational framework identifies energy‐dependent laser absorptivity for NiTi in laser powder‐bed fusion, applicable to conduction and transition modes. Single‐track experiments and thermofluid smoothed particle hydrodynamics simulations are coupled through inverse analysis of melt pool geometry.
Mohamadreza Afrasiabi, Hadi Moutablaleh, Ignatius A. Setiawan, Mehrshad Mehrpouya   +3 more
wiley   +1 more source

Preclinical studies of the falnidamol as a highly potent and specific active ABCB1 transporter inhibitor

BMC Cancer
Background ABCB1 overexpression is a key factor in causing multidrug resistance (MDR). As a result, it is crucial to discover effective medications against ABCB1 to overcome MDR.
Baojie Liu, Yongzheng Lu, Ruihui Lin, Junbao Xu, Zilin Shang, Xinyu Hou, Xulong Shao, Zhifang Pan, Tao Yu, Weiguo Feng   +9 more
doaj   +1 more source

Utilizing sinapic acid as an inhibitory antiviral agent against MERS-CoV PLpro

Saudi Pharmaceutical Journal
Concerns about the social and economic collapse, high mortality rates, and stress on the healthcare system are developing due to the coronavirus onslaught in the form of various species and their variants.
Mudassar Shahid, Ahmed L. Alaofi, Mushtaq Ahmad Ansari, Sheikh Fayaz Ahmad, Saleh Alsuwayeh, Ehab Taha, Mohammad Raish   +6 more
doaj   +1 more source

Triple Junctions as Dislocation‐Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation

Advanced Engineering Materials, EarlyView.
Grain boundary triple junctions are an essential ingredient of the microstructure of polycrystalline materials. In this study, a triple junction is observed using atomic‐resolution scanning transmission electron microscopy and characterized. Computer simulations reveal that the junction has a dislocation character that is determined by the joining ...
Tobias Brink, Saba Saood, Peter Schweizer, Jörg Neugebauer, Gerhard Dehm   +4 more
wiley   +1 more source

Continuous Stiffness Graded Metal–Ceramic Femoral Stems: UMAT‐Based Design and Finite Element Assessment

Advanced Engineering Materials, EarlyView.
Functionally graded metal–ceramic femoral stems are engineered through continuous UMAT‐based stiffness tailoring, eliminating discrete material interfaces while enhancing biomechanical compatibility. Low‐index power‐law gradation optimizes load transfer, reduces stress shielding, and controls implant–bone micromotion, highlighting a materials‐design ...
Rihem Nouira, Sameh Elleuch, Hanen Jrad
wiley   +1 more source