The small molecule chemical compound cinobufotalin attenuates resistance to DDP by inducing ENKUR expression to suppress MYH9-mediated c-Myc deubiquitination in lung adenocarcinoma Article 16 March 2022 PQR309
The model of a compound molecule is considered in connection with oscillator models of chemical reactions. It is shown that for non-adiabatic reactions the isolated level approximation is a reasonable one and that the transition-state theory may be used for calculating the rate constant for thermal...
Here, the authors develop an assay directly coupling protein ligand binding to the luminescence intensity of NanoLuc luciferase; enabling a compound discovery strategy for a broad spectrum of potential drug targets. Daniel A. Ciulla , Patricia K. Dranchak & James Inglese Article 09 May 2025 |...
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Chemical species: chemical compound, element, or living system Water; nitrogen; corn; E. coliElemental formula: elemental chemical composition of species H2O—water N2—nitrogenIsomeric species (isomers): same stoichiometrical formula but different sterostructureall share the same stoichiometrical formula...
Before performing a virtual screening or the synthesis of a virtual compound, it is convenient to characterize the compounds generated using different criteria. For example, profiling the compound library with whole molecule descriptors of pharmaceutical relevance can help to validate the strategy used, ...
b-hydroxyaldehyde 3, which is called an aldol, may be dehydrated under the reaction conditions to give a,b-unsaturated carbonyl compound 4 if R2 or R3 is an hydrogen atom. The aldol reaction is an equilibrium, which may lie to the right or to the left depending on circumstances (see ...
Here, the triazole urea compound KK181N1 is identified as a Karrikin signaling-specific antagonist with a non-covalent binding mode, contrasting the covalent binding of the D14 antagonist KK094. This chemical tool holds potential in discriminating the KARs and SL signaling. ...
where we define the AE without loss of generality as the total energy of the molecule minus total energies of the isolated neutral atoms. Learning atomization energies across chemical compound space is a well-established practice in the ML literature. In a first approach, we can therefore apply ...
Johnson TL, Scherer MM, Tratnyek PG (1996) Kinetics of halogenated organic compound degradation by iron metal. Environ Sci Technol 30:2634–2640. https://doi.org/10.1021/es9600901 Article CAS Google Scholar Johnson TL, Fish W, Gorby YA, Tratnyek PG (1998) Degradation of carbon tetrachlori...