A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase

Wijitra Meelua, Tanchanok Wanjai, Natechanok Thinkumrob, Julianna Oláh, James R. Ketudat Cairns, Supa Hannongbua, Ulf Ryde and Jitrayut Jitonnom

Phys. Chem. Chem. Phys., 2023, 25, 8767
DOI: 10.1039/D2CP05262H

3-Aminooxazolidinone AHL analogs as hydrolytically-stable quorum sensingagonists in Gram-negative bacteria

Min Guo, Yue Zheng, Rusty Starks, Clement Opoku-Temeng, Xiaochu Ma and Herman O. Sintim

Med. Chem. Commun., 2015, 6, 1086
DOI: 10.1039/C5MD00015G

Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations

Pabitra Narayan Samanta and Kalyan Kumar Das

Journal of Molecular Graphics and Modelling, 2016, 63, 38
DOI: 10.1016/j.jmgm.2015.11.010

Acoplamiento molecular y modelado tridimensional por homología de flavonoides derivados de amentoflavona con las neuraminidasas H1N1 y H5N1 del virus de gripe aviar

Ricardo Vivas Reyes, Alejandro Morales, Johana Márquez Lázaro, Roger Varela, Leandro Herrera and Catalina Vivas Gómez

Rev. Colomb. Quim., 2022, 50, 32
DOI: 10.15446/rev.colomb.quim.v50n3.97430

Pseudomonas aeruginosa quorum sensing modulates immune responses: An updated review article

Ashraf Kariminik, Majid Baseri-Salehi and Babak Kheirkhah

Immunology Letters, 2017, 190, 1
DOI: 10.1016/j.imlet.2017.07.002

Sesamin and sesamolin rescues Caenorhabditis elegans from Pseudomonas aeruginosa infection through the attenuation of quorum sensing regulated virulence factors

V.T. Anju, Siddhardha Busi, Sampathkumar Ranganathan, Dinakara Rao Ampasala, Sandeep Kumar, Kitlangki Suchiang, Ranjith Kumavath and Madhu Dyavaiah

Microbial Pathogenesis, 2021, 155, 104912
DOI: 10.1016/j.micpath.2021.104912

In Silico Study of Ayapana Triplinervis Bioactive Compounds Against Quorum-Sensing System of Pseudomonas Aeruginosa

King Dave Gloria Martin, Krystel Grace Vergara Padilla and Ivy Joyce Arenas Buan

Orient. J. Chem, 2021, 37, 143
DOI: 10.13005/ojc/370119

A review of chemical signaling pathways in the quorum sensing circuit of Pseudomonas aeruginosa

Kayeen Vadakkan, Ajit Kumar Ngangbam, Kuppusamy Sathishkumar, Nelson Pynadathu Rumjit and Meena Kochappan Cheruvathur

International Journal of Biological Macromolecules, 2024, 254, 127861
DOI: 10.1016/j.ijbiomac.2023.127861

Binding interactions and in silico ADME prediction of isoconessimine derivatives as potent acetylcholinesterase inhibitors

Panthip Tue-ngeun, Waleepan Rakitikul, Natechanok Thinkumrob, Supa Hannongbua, Wijitra Meelua and Jitrayut Jitonnom

Journal of Molecular Graphics and Modelling, 2024, 129, 108746
DOI: 10.1016/j.jmgm.2024.108746

Decomposition of the interaction energy of several flavonoids with Escherichia coli DNA Gyr using the SAPT (DFT) method: The relation between the interaction energy components, ligand structure, and biological activity

Fatemeh Bamdad, Hossein Farrokhpour, Mahmud Ashrafizaadeh and Bijan Najafi

Biochimica et Biophysica Acta (BBA) - General Subjects, 2022, 1866, 130111
DOI: 10.1016/j.bbagen.2022.130111

Functional Diversity of Quorum Sensing Receptors in Pathogenic Bacteria: Interspecies, Intraspecies and Interkingdom Level

Fazlurrahman Khan, Aqib Javaid and Young-Mog Kim

CDT, 2019, 20, 655
DOI: 10.2174/1389450120666181123123333

Complementation of a metK-deficient E. coli strain with heterologous AdoMet synthetase genes

Gwenn G. Parungao, Mojun Zhao, Qinzhe Wang, Stephen P. Zano, Ronald E. Viola and Robert M. Blumenthal

Microbiology, 2017, 163, 1812
DOI: 10.1099/mic.0.000565

Molecular docking and biological evaluation of novel urea-tailed mannich base against Pseudomonas aeruginosa

Sucharitha Kannappan Mohanvel, Vinothkannan Ravichandran, Chakkaravarthi Kamalanathan, Ann Susan Satish, Samiraj Ramesh, Jintae Lee and Satish Kumar Rajasekharan

Microbial Pathogenesis, 2019, 130, 104
DOI: 10.1016/j.micpath.2019.02.037

New Nonsteroidal Molecules as Blockers of the Steroidogenic Pathway

Jhoan H. Piermattey, Maicol Ahumedo, Yvonne Heuze, Juan Soriano and Marisa Cabeza

CEI, 2022, 18, 19
DOI: 10.2174/1573408018666220106151712

Computational study of the interactions among structural analogues of acyl homoserine lactones (AHLs) and the Agrobacterium tumefaciens TraR binding site

Daniela Pérez, Maicol Ahumedo, Eileen Herrera, Catalina Vivas-Gomez and Ricardo Vivas-Reyes

F1000Res, 2019, 8, 2062
DOI: 10.12688/f1000research.20793.1

Conformational and docking studies of acyl homoserine lactones as a robust method to investigate bioactive conformations

Laurent Soulère and Yves Queneau

Computational Biology and Chemistry, 2019, 79, 48
DOI: 10.1016/j.compbiolchem.2019.01.006

Estudio teórico de compuestos derivados de cefalosporinas con potencial actividad inhibitoria frente a proteína de unión a penicilina (PBP) y resistencia a enzimas betalactamasa de espectro extendido (BLEE) producidas por Escherichia coli

Adrian Urbina-Daza, Cira Anaya-Ortega, Maicol Ahumedo-Monterrosa, Ricardo Gaitan-Ibarra and Jorge Anaya-Gil

Rev. Colomb. Cienc. Quím. Farm., 2019, 48, 44
DOI: 10.15446/rcciquifa.v48n1.80064

Mutational Analysis of the Quorum-Sensing Receptor LasR Reveals Interactions that Govern Activation and Inhibition by Nonlactone Ligands

Joseph P. Gerdt, Christine E. McInnis, Trevor L. Schell, Francis M. Rossi and Helen E. Blackwell

Chemistry & Biology, 2014, 21, 1361
DOI: 10.1016/j.chembiol.2014.08.008

The role of LasR active site amino acids in the interaction with the Acyl Homoserine Lactones (AHLs) analogues: A computational study

Maicol Ahumedo Monterrosa, Johan Fabian Galindo, Javier Vergara Lorduy, Jorge Alí-Torres and Ricardo Vivas-Reyes

Journal of Molecular Graphics and Modelling, 2019, 86, 113
DOI: 10.1016/j.jmgm.2018.10.014

Biological Evaluation and Docking Studies of New Carbamate, Thiocarbamate, and Hydrazide Analogues of Acyl Homoserine Lactones as Vibrio fischeri-Quorum Sensing Modulators

Qiang Zhang, Yves Queneau and Laurent Soulère

Biomolecules, 2020, 10, 455
DOI: 10.3390/biom10030455

S-alkylated thiosemicarbazone derivatives: Synthesis, crystal structure determination, antimicrobial activity evaluation and molecular docking studies

Miyase Gözde Gündüz, Büşra Kaya, Ceren Özkul, Onur Şahin, Estharla Madhu Rekha, Dharmarajan Sriram and Bahri Ülküseven

Journal of Molecular Structure, 2021, 1242, 130674
DOI: 10.1016/j.molstruc.2021.130674