Results 81 to 90 of about 29,301 (244)

Action of Betulinic Acid in the Inhibition of Efflux Pump NorA in Staphylococcus aureus Strains: In Vitro and In Silico Approaches

Chemistry &Biodiversity, EarlyView.
ABSTRACT Antibiotic resistance poses a serious challenge to public health, particularly in the case of Staphylococcus aureus, a Gram‐positive bacterium that employs multiple resistance mechanisms, including efflux pumps such as NorA, which extrude antimicrobial compounds from the cell and reduce antibiotic efficacy. Therefore, the search for substances
Camila Aparecida Pereira da Silva, Nara juliana Santos Araujo, Cícera Datiane Morais Oliveira‐Tintino, José Maria Barbosa Filho, Gabriel Gonçalves Alencar, José Bezerra de Araújo‐Neto, Josefa Sayonara dos Santos, Juliete Bezerra Soares, Carolina Bandeira Domiciano, Henrique Douglas Melo Coutinho, Jacqueline Cosmo Andrade‐Pinheiro   +10 more
wiley   +1 more source

rac-Methyl (3aR*,4S*,5R*,7aR*)-5,7a-bis(acetyloxy)-3-oxo-2-phenyloctahydro-1H-isoindole-4-carboxylate

Acta Crystallographica Section E, 2013
The title molecule, C20H23NO7, the product of nucleophilic cleavage of the 3a,6-epoxy bridge in 1-oxo-2-phenyloctahydro-3a,6-epoxyisoindole-7-carboxylate, comprises a cis-fused bicyclic system containing a 2-pyrrolidinone ring in an envelope conformation
Flavien A. A. Toze, Eugeniya V. Nikitina, Vladimir P. Zaytsev, Fedor I. Zubkov, Victor N. Khrustalev   +4 more
doaj   +1 more source

The Connectivity and the Harary Index of a Graph [PDF]

, 2012
The Harary index of a graph is defined as the sum of reciprocals of distances between all pairs of vertices of the graph. In this paper we provide an upper bound of the Harary index in terms of the vertex or edge connectivity of a graph.
Das, Diudea, Estrada, Feng, He, Ilić, Ivanciuc, Lučić, Plavčsić, Wiener, Xiao-Xin Li, Xu, Xu, Xu, Xu, Yi-Zheng Fan, Yu, Zhou   +17 more
core   +1 more source

Bifunctional Reduced Graphene Oxide Derivatives for PFOA Adsorption

ChemistryEurope, EarlyView.
A bifunctional graphene‐based material is developed for selective PFAS adsorption from water. Thermally reduced graphene oxide is modified with quaternary ammonium groups and fluorinated chains, promoting electrostatic and fluorine–fluorine interactions. Surface functionality is characterized by X‐ray photoelectron spectroscopy, atomic force microscopy,
Robert Schusterbauer, Pia Schünemann, Philip Nickl, Jasmin Er, Victoria Kämmer, Florian Junge, Salim Fazzani, Paul Mrkwitschka, Björn Meermann, Rainer Haag, Ievgen Donskyi   +10 more
wiley   +1 more source

Screening of Large Molecule Diversities by Phage Display

CHIMIA, 2011
Molecules with tailored binding specificities are needed for many purposes such as the development of therapeutics, the detection and purification of biomolecules or in chemical biology for the study and manipulation of biological systems.
Inmaculada Rentero, Christian Heinis
doaj   +1 more source

A Divergent Synthetic Approach to Diverse Molecular Scaffolds: Assessment of Lead-Likeness using LLAMA, an Open-Access Computational Tool [PDF]

, 2016
Complementary cyclisation reactions of hex-2-ene-1,6-diamine derivatives were exploited in the synthesis of alternative molecular scaffolds. The value of the synthetic approach was analysed using LLAMA, an open-access computational tool for assessing the
Adam Nelson, Agami, Bemis, Bertrand, Bickerton, Borisov, Christopher J. Empson, Chuprina, Davies, Doveston, Doveston, Firth, Foley, Hann, Ian Churcher, Ignacio Colomer, Irwin, James, James, Jordá-Gregori, Kamiyama, Keserü, Knapp, Leeson, Link, Lipinski, Lipinski, Lipkus, Lovering, Lüthy, MacLellan, Nadin, Oprea, Padwa, Perola, Philip Craven, Richard G. Doveston, Ritchie, Robbins, Ryabukhin, Sauer, Stankov, Stephen P. Marsden, Sudau, Waring, Wee, Wenlock, Zachary Owen   +47 more
core   +1 more source

Exploring Indium Teflates: From Neutral In(OTeF5)3(THF)3 to Anionic Complexes [In(OTeF5)4(THF)2]– and [In(OTeF5)6]3–

ChemistryEurope, EarlyView.
The study examines the coordination chemistry of indium teflate complexes, showing the progression from [In(OTeF5)3(THF)3] to the anionic species [In(OTeF5)4(THF)2]– and [In(OTeF5)6]3–. Systematic ligand substitution and anion formation reveal increasing teflate coordination, highlighting structural evolution, Lewis acidity modulation, and ...
Djamila Azrou, Lukas Fischer, Anja Wiesner, Aurélien Alix, Régis Guillot, Vincent Gandon, Sebastian Riedel, Christophe Bour   +7 more
wiley   +1 more source

CuH‐Catalyzed Asymmetric Desymmetrization of Cyclobutenes via Stereodivergent Hydroamination

ChemistryEurope, EarlyView.
The CuH‐catalyzed stereodivergent hydroamination through asymmetric desymmetrization of cyclobutenes has been achieved, yielding a range of trisubstituted aminocyclobutanes with excellent results. A series of subsequent transformations, including the first asymmetric synthesis of two pharmaceutically active molecules, have been realized, and density ...
Xiang Lei, Peng Luo, Shouang Lan, Wennan Dong, Chao Xu, Jinggong Liu, Shuang Yang, Qi Zhang, Xinqiang Fang   +8 more
wiley   +1 more source

The acid-base properties of 2-(benzoylamino)(1-R-2-oxoindolin-3-ylidene)acetic acids

Журнал органічної та фармацевтичної хімії, 2019
Aim. To study the acid-base properties of derivatives of 2-(benzoylamino)(1-R-2-oxoindolin-3-ylidene)acetic acid substituted by the location 1 of oxoindolin fragment. Results and discussion. The compounds studied are weak acids, their strength decreases
Serhii V. Kolisnyk, O. M. Svechnikova, O. O. Altukhov, Olena V. Kolisnyk, O. F. Vynnyk   +4 more
doaj   +1 more source

Cyclic and macrocyclic peptides as chemical tools to recognise protein surfaces and probe protein-protein interactions [PDF]

, 2016
Targeting protein surfaces and protein–protein interactions (PPIs) with small molecules is a frontier goal of chemical biology and provides attractive therapeutic opportunities in drug discovery.
Angelini, Angelini, Baeriswyl, Baeriswyl, Barnard, Bellomaria, Bellotto, Birts, Bowman, Buckley, Buckley, Burslem, Cheloha, Chen, Cromm, Deshayes, Diderich, Ferreira, Galdeano, Gartner, Gerona-Navarro, Harrison, Heinis, Heinis, Heitz, Hill, Horswill, Jayatunga, Ji, Jiang, Kalia, Koivunen, Kumagai, Li, Lian, Lian, Liu, Mills, Milroy, Miranda, Nevola, Nevola, Nielsen, Nielsen, O′Neil, Pazgier, Penchala, Pierschbacher, Qian, Quartararo, Seigal, Seoane, Smith, Smith, Smith, Spatola, Tavassoli, Tavassoli, Udugamasooriya, Upadhyaya, Urech-Varenne, Van Molle, Vassilev, Vaz, Villar, Vlieghe, Wagner, Wu, Yamagishi, Zoller   +69 more
core   +2 more sources