Exploring Proteus mirabilis Methionine tRNA Synthetase Active Site: Homology Model Construction, Molecular Dynamics, Pharmacophore and Docking Validation

por Elbaramawi, Samar S., Eissa, Ahmed G., Noureldin, Nada A., Simons, Claire
Publicado 2023

Pyridine based dual binding site aromatase (CYP19A1) inhibitors

por Eissa, Ahmed G., Powell, Lauren E., Gee, Julia, Foster, Paul A., Simons, Claire
Publicado 2023

Synthesis, computational study and biological evaluation of 9-acridinyl and 1-coumarinyl-1,2,3-triazole-4-yl derivatives as topoisomerase II inhibitors

por Abdel-Hafez, Gehan A., Mohamed, Abdel-Maaboud I., Youssef, Adel F., Simons, Claire, Aboraia, Ahmed S.
Publicado 2022

Synthesis and anti-HSV activity of tricyclic penciclovir and hydroxybutylguanine derivatives

por Mohammed, Anber F., Andrei, Graciela, Hayallah, Alaa M., Abdel-Moty, Samia G., Snoeck, Robert, Simons, Claire
Publicado 2019

Long-Term Outcomes of Eladocagene Exuparvovec Compared with Standard of Care in Aromatic l-Amino Acid Decarboxylase (AADC) Deficiency: A Modelling Study

por Simons, Claire L., Hwu, Wuh-Liang, Zhang, Rongrong, Simons, Martijn J. H. G., Bergkvist, Mats, Bennison, Craig
Publicado 2023

Design, computational studies, synthesis and in vitro antimicrobial evaluation of benzimidazole based thio-oxadiazole and thio-thiadiazole analogues

por Noureldin, Nada A., Richards, Jennifer, Kothayer, Hend, Baraka, Mohammed M., Eladl, Sobhy M., Wootton, Mandy, Simons, Claire
Publicado 2021

Phenylalanyl tRNA synthetase (PheRS) substrate mimics: design, synthesis, molecular dynamics and antimicrobial evaluation

por Noureldin, Nada A., Richards, Jennifer, Kothayer, Hend, Baraka, Mohammed M., Eladl, Sobhy M., Wootton, Mandy, Simons, Claire
Publicado 2022

Synthesis, biological evaluation and computational studies of pyrazole derivatives as Mycobacterium tuberculosis CYP121A1 inhibitors

por Alshabani, Lama A., Kumar, Amit, Willcocks, Sam J., Srithiran, Gayathri, Bhakta, Sanjib, Estrada, D. Fernando, Simons, Claire
Publicado 2022

An Innovative Approach to Modelling the Optimal Treatment Sequence for Patients with Relapsing–Remitting Multiple Sclerosis: Implementation, Validation, and Impact of the Decision-...

por Piena, Marjanne A., Kroep, Sonja, Simons, Claire, Fenwick, Elisabeth, Harty, Gerard T., Wong, Schiffon L., van Hout, Ben A.
Publicado 2021

Molecular Insights into Human Transmembrane Protease Serine-2 (TMPS2) Inhibitors against SARS-CoV2: Homology Modelling, Molecular Dynamics, and Docking Studies

por Kishk, Safaa M., Kishk, Rania M., Yassen, Asmaa S. A., Nafie, Mohamed S., Nemr, Nader A., ElMasry, Gamal, Al-Rejaie, Salim, Simons, Claire
Publicado 2020

Surface hydrophobics mediate functional dimerization of CYP121A1 of Mycobacterium tuberculosis

por Kumar, Amit, Campomizzi, Christopher S., Jay, Natalie, Ferguson, Shaun, Scheffler, Emelie-Jo, Lioi, James, Tu, Chengjian, Qu, Jun, Simons, Claire, Estrada, D. Fernando
Publicado 2021

Small‐Molecule Inhibitors Targeting Sterol 14α‐Demethylase (CYP51): Synthesis, Molecular Modelling and Evaluation Against Candida albicans

por Binjubair, Faizah A., Parker, Josie E., Warrilow, Andrew G., Puri, Kalika, Braidley, Peter J., Tatar, Esra, Kelly, Steven L., Kelly, Diane E., Simons, Claire
Publicado 2020

Long-term health outcomes of people with reduced kidney function in the UK: A modelling study using population health data

por Schlackow, Iryna, Simons, Claire, Oke, Jason, Feakins, Benjamin, O’Callaghan, Christopher A., Hobbs, F. D Richard, Lasserson, Daniel, Stevens, Richard J., Perera, Rafael, Mihaylova, Borislava
Publicado 2020

Statistical models for the deterioration of kidney function in a primary care population: A retrospective database analysis

por Oke, Jason L, Feakins, Benjamin G, Schlackow, Iryna, Mihaylova, Borislava, Simons, Claire, O'Callaghan, Chris A, Lasserson, Daniel S, Hobbs, F D Richard, Stevens, Richard J, Perera, Rafael
Publicado 2022

Synthesis and biological evaluation of novel cYY analogues targeting Mycobacterium tuberculosis CYP121A1

por Kishk, Safaa M., McLean, Kirsty J., Sood, Sakshi, Helal, Mohamed A., Gomaa, Mohamed S., Salama, Ismail, Mostafa, Samia M., de Carvalho, Luiz Pedro S., Munro, Andrew W., Simons, Claire
Publicado 2019

Liposomal delivery of hydrophobic RAMBAs provides good bioavailability and significant enhancement of retinoic acid signalling in neuroblastoma tumour cells

por Bilip, Maja, Shah, Shreya, Mathiyalakan, Mayuran, Tagalakis, Aristides D., Hart, Stephen L., Maeshima, Ruhina, Eaton, Simon, Orford, Michael, Irving, Elsa, Di Florio, Alessia, Simons, Claire, Stoker, Andrew W.
Publicado 2020

Expression of the retinoic acid catabolic enzyme CYP26B1 in the human brain to maintain signaling homeostasis

por Stoney, Patrick N., Fragoso, Yara D., Saeed, Reem Bu, Ashton, Anna, Goodman, Timothy, Simons, Claire, Gomaa, Mohamed S., Sementilli, Angelo, Sementilli, Leonardo, Ross, Alexander W., Morgan, Peter J., McCaffery, Peter J.
Publicado 2015

Design and Synthesis of Imidazole and Triazole Pyrazoles as Mycobacterium Tuberculosis CYP121A1 Inhibitors

por Kishk, Safaa M., McLean, Kirsty J., Sood, Sakshi, Smith, Darren, Evans, Jack W.D., Helal, Mohamed A., Gomaa, Mohamed S., Salama, Ismail, Mostafa, Samia M., de Carvalho, Luiz Pedro S., Levy, Colin W., Munro, Andrew W., Simons, Claire
Publicado 2019

Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation

por Taban, Ismail M., Elshihawy, Hosam E. A. E., Torun, Beyza, Zucchini, Benedetta, Williamson, Clare J., Altuwairigi, Dania, Ngu, Adeline S. T., McLean, Kirsty J., Levy, Colin W., Sood, Sakshi, Marino, Leonardo B., Munro, Andrew W., de Carvalho, Luiz Pedro S., Simons, Claire
Publicado 2017

Synthesis, Optimization, Antifungal Activity, Selectivity, and CYP51 Binding of New 2-Aryl-3-azolyl-1-indolyl-propan-2-ols

por Lebouvier, Nicolas, Pagniez, Fabrice, Na, Young Min, Shi, Da, Pinson, Patricia, Marchivie, Mathieu, Guillon, Jean, Hakki, Tarek, Bernhardt, Rita, Yee, Sook Wah, Simons, Claire, Lézé, Marie-Pierre, Hartmann, Rolf W., Mularoni, Angélique, Le Baut, Guillaume, Krimm, Isabelle, Abagyan, Ruben, Le Pape, Patrice, Le Borgne, Marc
Publicado 2020