Results 41 to 50 of about 3,170,537 (296)

A novel quinazolinone insulin receptor inhibitor and its synergy with an EGFR inhibitor in glucose‐driven glioblastoma

Molecular Oncology, EarlyView.
The novel styrylquinazolinone‐based molecule W1B effectively suppresses glioblastoma by inhibiting IGF1R and EGFR. In high‐glucose microenvironments driving tumor resistance, W1B acts synergistically with the EGFR inhibitor dacomitinib. This combination safely blocks compensatory survival signaling in zebrafish xenograft models. Showcasing promising in
Patryk Rurka, Wioleta Cieślik, Wojciech Płaziński, Katarzyna Stępnik, Anna Boguszewska‐Czubara, Elżbieta Kot, Robert Musioł, Mateusz Jasica, Anna Mrozek‐Wilczkiewicz, Katarzyna Malarz   +9 more
wiley   +1 more source

RLSuccSite: succinylation sites prediction based on reinforcement learning dynamic with balanced reward mechanism and three-peaks enhanced method for physicochemical property scores

Journal of Cheminformatics
Recent progress in computational biology has driven the development of machine learning models for predicting protein post-translational modification sites.
Lun Zhu, Qingchao Zhang, Sen Yang
doaj   +1 more source

Predicting the exposure and antibacterial activity of fluoroquinolones based on physicochemical properties

European Journal of Pharmaceutical Sciences, 2012
The purposes of this study are to evaluate if the PAMPA (Parallel Artificial Membrane Permeability Assay) permeability and the true partition coefficient could be useful for predicting AUC and MIC data of a group of antibacterial fluoroquinolones (FQs). The protonation macro- and microconstants, the n-octanol/water partition coefficients at isoelectric
Gergely, Völgyi, Gábor, Vizserálek, Krisztina, Takács-Novák, Alex, Avdeef, Kin Y, Tam   +4 more
openaire   +2 more sources

Towards a Balanced Regime of Intellectual Property Rights for Agricultural Innovations [PDF]

, 2023
The utilization of intellectual property (IP) rights in crop research is rapidly evolving, with an increasing number of countries and intergovernmental organizations becoming members of—and thereby ratifying the framework provided by—the International ...
Jefferson, David James; The Public Intellectual Property Resource for Agriculture (PIPRA) Department of Plant Sciences University of California, Davis, Camacho, Alex B.; The Public Intellectual Property Resource for Agriculture (PIPRA) Department of Plant Sciences University of California, Davis, Chi-Ham, Cecilia L.; The Public Intellectual Property Resource for Agriculture (PIPRA) Department of Plant Sciences University of California, Davis   +2 more
core   +2 more sources

UiO‐66 metal–organic frameworks in biomedicine: From structural tunability to bioimaging, photodiagnostics, and photodynamic cancer therapy

FEBS Open Bio, EarlyView.
UiO‐66(Zr) metal–organic frameworks are chemically stable, biocompatible, and highly tunable nanomaterials. Their modular structure enables controlled drug delivery, multimodal bioimaging, and light‐activated photodynamic therapy, supporting integrated diagnostic and therapeutic (theranostic) applications in cancer and biomedical research.
Veronika Huntošová, Grigorii Rakhalskii, Miroslav Almáši   +2 more
wiley   +1 more source

A database framework for rapid screening of structure-function relationships in PFAS chemistry

Scientific Data, 2021
This paper describes a database framework that enables one to rapidly explore systematics in structure-function relationships associated with new and emerging PFAS chemistries.
An Su, Krishna Rajan
doaj   +1 more source

Fragment-pair based drug molecule solubility prediction through attention mechanism

Frontiers in Pharmacology, 2023
The purpose of drug discovery is to identify new drugs, and the solubility of drug molecules is an important physicochemical property in medicinal chemistry, that plays a crucial role in drug discovery.
Jianping Liu, Xiujuan Lei, Chunyan Ji, Yi Pan, Yi Pan   +4 more
doaj   +1 more source

Prediction of Antibacterial Activity from Physicochemical Properties of Antimicrobial Peptides

PLoS ONE, 2011
Consensus is gathering that antimicrobial peptides that exert their antibacterial action at the membrane level must reach a local concentration threshold to become active. Studies of peptide interaction with model membranes do identify such disruptive thresholds but demonstrations of the possible correlation of these with the in vivo onset of activity ...
Melo, Manuel N., Ferre Malagon, Rafael, Feliu Soley, Lidia, Bardají Rodríguez, Eduard, Planas i Grabuleda, Marta, Castanho, Miguel Augusto Rico Botas   +5 more
openaire   +5 more sources

Structural and biochemical insights into the thermostable esterase Ta0887 from Thermoplasma acidophilum

FEBS Open Bio, EarlyView.
In this study, a novel esterase from the thermoacidophilic archaeon Thermoplasma acidophilum was biochemically and structurally characterized. Our results demonstrate that Ta0887 is a highly thermostable esterase that preferentially hydrolyzes p‐nitrophenyl hexanoate and possesses an α‐helical cap domain that likely contributes to its substrate ...
Alejandro Delgado‐Rey, Miriam Livier Llamas‐García, Gabriela M. Montero‐Morán, Leticia Santos, Samuel Lara‐González   +4 more
wiley   +1 more source

Group Contribution Revisited: The Enthalpy of Formation of Organic Compounds with “Chemical Accuracy” Part VI

AppliedChem
In this paper we provide the reader with a ready to use Group Contribution (GC) method for the heat of formation (gaseous state) of organics in the form of an Excel spreadsheet with all data, enabling further predictions, and an accompanying manual on ...
Robert J. Meier, Paul R. Rablen
doaj   +1 more source