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Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro

Peer-reviewed
Open access
DOI
10.1080/07391102.2020.1782768
MA Alamri; Tahir ul Qamar M; MU Mirza; R Bhadane; SM Alqahtani; I Muneer; M Froeyen; Outi Salo-Ahen
Journal of Biomolecular Structure and Dynamics2020

Advances in UDP-N-acetylglucosamine enolpyruvyl transferase (MurA) covalent inhibition

Peer-reviewed
Open access
DOI
10.3389/fmolb.2022.889825
Maycon V. de Oliveira; Renan M. Furtado; Kauê S. da Costa; Serhii Vakal; Anderson H. Lima
Frontiers in Molecular Biosciences2022

Prolonged and tunable residence time using reversible covalent kinase inhibitors

Peer-reviewed
DOI
10.1038/NCHEMBIO.1817
Bradshaw, J. Michael; McFarland, Jesse M.; Paavilainen, Ville O.; Bisconte, Angelina; Tam, Danny; Ph...
Nature Chemical Biology2015

Identification and characterization of approved drugs and drug-like compounds as covalent Escherichia coli ClpP inhibitors

Peer-reviewed
Open access
DOI
10.3390/ijms20112686
Sassetti, Elisa; Cruz, Cristina Durante; Tammela, Päivi; Winterhalter, Mathias; Augustyns, Koen; Gri...
International Journal of Molecular Sciences2019

Covalent Modification of Nanocellulose Towards Advanced Functional Materials

Open access
Guo, Jiaqi
Aalto University2017

Pyrazinyl-Substituted Aminoazoles as Covalent Inhibitors of Thrombin: Synthesis, Structure, and Anticoagulant Properties

Peer-reviewed
DOI
10.1021/acsptsci.4c00515
Imberg, Lukas; Siutkina, Alena I; Erbacher, Catharina; Schmidt, Judith; Broekmans, Darius F; Ovsepya...
ACS pharmacology & translational science2024

Amide-functionalized 1,2,4-Triazol-5-amines as Covalent Inhibitors of Blood Coagulation Factor XIIa and Thrombin

Peer-reviewed
DOI
10.1021/acsptsci.2c00204
Imberg, Lukas; Platte, Simon; Erbacher, Catharina; Daniliuc, Constantin G.; Kalinina, Svetlana A.; D...
ACS pharmacology & translational science2022

Dynamic covalent synthesis

Peer-reviewed
Open access
DOI
10.1039/D3SC05343A
Cougnon, Fabien B. L.; Stefankiewicz, Artur R.; Ulrich, Sébastien
Chemical Science2024

Rational design, optimization, and biological evaluation of novel α-Phosphonopropionic acids as covalent inhibitors of Rab geranylgeranyl transferase

Peer-reviewed
Open access
DOI
10.1080/14756366.2022.2053525
Malolepsza Joanna, Marchwicka Aleksandra, Serwa Remigiusz A., Niinivehmas Sanna P., Pentikäinen Olli...
Journal of Enzyme Inhibition and Medicinal Chemistry2022

Real-space observation of non-covalent interactions in planar and non-planar molecules using scanning probe microscopy

Open access
Choi, Shukning
Aalto University2025

Pharmacoinformatics and molecular dynamics simulation studies reveal potential covalent and FDA-approved inhibitors of SARS-CoV-2 main protease 3CLpro

Peer-reviewed
Open access
DOI
10.1080/07391102.2020.1782768
2020

Advances in UDP-N-acetylglucosamine enolpyruvyl transferase (MurA) covalent inhibition

Peer-reviewed
Open access
DOI
10.3389/fmolb.2022.889825
2022

Prolonged and tunable residence time using reversible covalent kinase inhibitors

Peer-reviewed
DOI
10.1038/NCHEMBIO.1817
2015

Identification and characterization of approved drugs and drug-like compounds as covalent Escherichia coli ClpP inhibitors

Peer-reviewed
Open access
DOI
10.3390/ijms20112686
2019

Covalent Modification of Nanocellulose Towards Advanced Functional Materials

Open access
2017

Pyrazinyl-Substituted Aminoazoles as Covalent Inhibitors of Thrombin: Synthesis, Structure, and Anticoagulant Properties

Peer-reviewed
DOI
10.1021/acsptsci.4c00515
2024

Amide-functionalized 1,2,4-Triazol-5-amines as Covalent Inhibitors of Blood Coagulation Factor XIIa and Thrombin

Peer-reviewed
DOI
10.1021/acsptsci.2c00204
2022

Dynamic covalent synthesis

Peer-reviewed
Open access
DOI
10.1039/D3SC05343A
2024

Rational design, optimization, and biological evaluation of novel α-Phosphonopropionic acids as covalent inhibitors of Rab geranylgeranyl transferase

Peer-reviewed
Open access
DOI
10.1080/14756366.2022.2053525
2022

Real-space observation of non-covalent interactions in planar and non-planar molecules using scanning probe microscopy

Open access
2025