Zobrazeno 1 - 10
of 18
pro vyhledávání: '"Susanta Haldar"'
Autor:
Haresh Ajani, Adam Pecina, Saltuk M. Eyrilmez, Jindřich Fanfrlík, Susanta Haldar, Jan Řezáč, Pavel Hobza, Martin Lepšík
Publikováno v:
ACS Omega, Vol 2, Iss 7, Pp 4022-4029 (2017)
Externí odkaz:
https://doaj.org/article/7a99820a4bb542748f3b81fb8c367007
Autor:
Susanta Haldar, Yashu Zhang, Ying Xia, Barira Islam, Sisi Liu, Francesco L. Gervasio, Adrian J. Mulholland, Zoë A. E. Waller, Dengguo Wei, Shozeb Haider
Publikováno v:
Journal of the American Chemical Society. 144(2)
The cationic porphyrin TMPyP4 is a well-established DNA G-quadruplex (G4) binding ligand that can stabilize different topologies via multiple binding modes. However, TMPyP4 can have both a stabilizing and destabilizing effect on RNA G4 structures. Th
Autor:
Javier Ramos-Soriano, M. Carmen Galan, Juan Carlos Morales, Susanta Haldar, Sadiyah Sheikh, Adrian J. Mulholland, Michael P. O'Hagan
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
O'Hagan, M P, Ramos-Soriano, J, Haldar, S, Sheikh, S, Morales, J C, Mulholland, A J & Galan, M C 2020, ' Visible-light photoswitching of ligand binding mode suggests G-quadruplex DNA as a target for photopharmacology ', Chemical Communications, vol. 56, no. 38, pp. 5186-5189 . https://doi.org/10.1039/D0CC01581D
Chemical Communications
instname
O'Hagan, M P, Ramos-Soriano, J, Haldar, S, Sheikh, S, Morales, J C, Mulholland, A J & Galan, M C 2020, ' Visible-light photoswitching of ligand binding mode suggests G-quadruplex DNA as a target for photopharmacology ', Chemical Communications, vol. 56, no. 38, pp. 5186-5189 . https://doi.org/10.1039/D0CC01581D
Chemical Communications
We report the selective targeting of telomeric G4 DNA with a dithienylethene ligand and demonstrate the robust visible-light mediated switching of the G4 ligand binding mode and G-tetrad structure in physiologically-relevant conditions. The toxicity
Autor:
Dengguo Wei, Susanta Haldar, Adrian J. Mulholland, Yashu Zhang, Francesco Luigi Gervasio, Ying Xia, Zoë A. E. Waller, Barira Islam, Sisi Liu, Shozeb Haider
The cationic porphyrin, TMPyP4, is a well-established DNA G-quadruplex (G4) binding ligand that can stabilize different topologies via multiple binding modes. However, TMPyP4 has completely opposite destabilizing and unwinding effect on RNA G4 struct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7844ce19f4be5952ba8bd4dd0fd0851e
https://doi.org/10.1101/2021.10.26.465985
https://doi.org/10.1101/2021.10.26.465985
Publikováno v:
The Journal of Physical Chemistry C. 123:14712-14724
Graphene and its derivatives are useful building blocks for the bottom-up assembly of advanced functional materials. Noncovalently functionalized graphene networks offer a wide range of application...
Autor:
Juan Carlos Morales, M. Carmen Galan, Susanta Haldar, Adrian J. Mulholland, Michael P. O'Hagan
Publikováno v:
Chemical Science
O'Hagan, M P, Haldar, S, Morales, J C, Mulholland, A J & Galan, M C 2020, ' Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligands ', Chemical Science, vol. 12, no. 4, 1415-1426, pp. 1415-1426 . https://doi.org/10.1039/D0SC05223J, https://doi.org/10.1039/d0sc05223j
O'Hagan, M P, Haldar, S, Morales, J C, Mulholland, A J & Galan, M C 2020, ' Enhanced sampling molecular dynamics simulations correctly predict the diverse activities of a series of stiff-stilbene G-quadruplex DNA ligands ', Chemical Science, vol. 12, no. 4, 1415-1426, pp. 1415-1426 . https://doi.org/10.1039/D0SC05223J, https://doi.org/10.1039/d0sc05223j
Ligands with the capability to bind G-quadruplexes (G4s) specifically, and to control G4 structure and behaviour, offer great potential in the development of novel therapies, technologies and functional materials. Most known ligands bind to a pre-for
Autor:
M. Carmen Galan, Michael P. O'Hagan, Javier Ramos Soriano, Adrian J. Mulholland, Juan Carlos Morales, Susanta Haldar
Photoresponsive ligands for G-quadruplex oligonucleotides (G4) offer exciting opportunities for the reversible regulation of these assemblies with potential applications in biological chemistry and responsive nanotechnology. However, achieving the ro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::015138059a2ce4804cc44bd73e0ac0cc
https://doi.org/10.26434/chemrxiv.11845272.v1
https://doi.org/10.26434/chemrxiv.11845272.v1
Publikováno v:
Current opinion in structural biology. 61
Simulations can provide detailed insight into the molecular processes involved in drug action, such as protein–ligand binding, and can therefore be a valuable tool for drug design and development. Processes with a large range of length and timescal
Autor:
Jindřich Fanfrlík, Adam Pecina, Martin Lepšík, Susanta Haldar, Pavel Hobza, Jan Řezáč, Haresh Ajani, Saltuk M. Eyrilmez
Publikováno v:
ACS Omega, Vol 2, Iss 7, Pp 4022-4029 (2017)
ACS Omega
ACS Omega
General and reliable description of structures and energetics in protein–ligand (PL) binding using the docking/scoring methodology has until now been elusive. We address this urgent deficiency of scoring functions (SFs) by the systematic developmen
Autor:
Martin Lepšík, Rene Meier, Susanta Haldar, Pavel Hobza, Jindřich Fanfrlík, Jan Řezáč, Adam Pecina
Publikováno v:
Journal of Chemical Information and Modeling. 57:127-132
We have recently introduced the “SQM/COSMO” scoring function which combines a semiempirical quantum mechanical description of noncovalent interactions at the PM6-D3H4X level and the COSMO implicit model of solvation. This approach outperformed st