Zobrazeno 1 - 10
of 161
pro vyhledávání: '"Robert A Pearlstein"'
Publikováno v:
PLoS ONE, Vol 15, Iss 11, p e0234946 (2020)
The human ether-a-go-go-related voltage-gated cardiac ion channel (commonly known as hERG) conducts the rapid outward repolarizing potassium current in cardiomyocytes (IKr). Inadvertent blockade of this channel by drug-like molecules represents a key
Externí odkaz:
https://doaj.org/article/bf398e07134e4bafaf32870cb8697605
Publikováno v:
PLoS ONE, Vol 13, Iss 11, p e0202376 (2018)
Cellular function depends on heterogeneous dynamic intra-, inter-, and supramolecular structure-function relationships. However, the specific mechanisms by which cellular function is transduced from molecular systems, and by which cellular dysfunctio
Externí odkaz:
https://doaj.org/article/7f4a86479a284eebbba9efc611e57c4f
The poor preclinical and clinical success rates of low molecular weight (LMW) compounds can be partially attributed to the inherent trial-and-error nature of pharmaceutical research, which is limited largely toretrospectivedata-driven, rather thanpro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b6f7c60b1d64b67738d3c3e4a1d8e64
https://doi.org/10.1101/2022.10.31.514572
https://doi.org/10.1101/2022.10.31.514572
Autor:
John O. Archambeau, Artak Tovmasyan, Robert D. Pearlstein, James D. Crapo, Ines Batinic-Haberle
Publikováno v:
Redox Biology, Vol 1, Iss 1, Pp 599-607 (2013)
Radiation proctitis, an inflammation and damage to the lower part of colon, is a common adverse event of the radiotherapy of tumors in the abdominal and pelvic region (colon, prostate, cervical). Several Mn(III) porphyrin-based superoxide dismutase m
Externí odkaz:
https://doaj.org/article/a1ba7b9cd6714d53990ed29a868646f7
Autor:
C. Wartchow, José S. Duca, Vibhas Aravamuthan, Sarah Williams, Robert A. Pearlstein, Hongbin Wan
Cellular functions are executed via a form of analog computing that is based on the switchable covalent and non-covalent states of multi-molecular fluxes (i.e., time-dependent species/state concentrations) operating in the non-linear dynamics regime.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a24c93ff0be1b86fc3ac531cae7b8e41
https://doi.org/10.1101/2021.10.29.466510
https://doi.org/10.1101/2021.10.29.466510
General structure-free energy relationships of hERG blocker binding under native cellular conditions
We proposed previously that aqueous non-covalent barriers arise from solute-induced perturbation of the H-bond network of solvating water (“the solvation field”) relative to bulk solvent, where the association barrier equates to enthalpic losses
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::81fe0763e65b44f06aa826d2f9b5b4ed
https://doi.org/10.1101/2021.10.07.463585
https://doi.org/10.1101/2021.10.07.463585
The ventricular action potential (AP) is subserved by an interdependent system of voltage-gated ion channels and pumps that both alter and respond (directly or indirectly) to the dynamic transmembrane potential (Δψm(t)) via voltage-dependent state
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::46b3ef0993695195252ef253e5d57f01
https://doi.org/10.1101/2020.11.15.384032
https://doi.org/10.1101/2020.11.15.384032
The SARS-CoV-2 Main protease (Mpro) is of major interest as an anti-viral drug target. Structure-based virtual screening efforts, fueled by a growing list of apo and inhibitor-bound SARS-CoV/CoV-2 Mprocrystal structures, are underway in many labs. Ho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7c19221ad0b2ea312b18aa365b887e5b
https://doi.org/10.1101/2020.07.19.211185
https://doi.org/10.1101/2020.07.19.211185
Publikováno v:
Biochimica et Biophysica Acta (BBA) - Biomembranes. 1859:177-194
The membrane dipole potential (Ψd) constitutes one of three electrical potentials generated by cell membranes. Ψd arises from the unfavorable parallel alignment of phospholipid and water dipoles, and varies in magnitude both longitudinally and late
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b3601a19eb29be7e5378587c197ab227
https://doi.org/10.1016/j.bbamem.2016.11.005
https://doi.org/10.1016/j.bbamem.2016.11.005
Autor:
John Reilly, José S. Duca, Robin Alec Fairhurst, David Andrew Sandham, Steven J. Charlton, Daniel J. McKay, Callum J. Dickson, Camilo Velez-Vega, David A. Sykes, Robert A. Pearlstein, Duncan Shaw, Viktor Hornak
Publikováno v:
Journal of Medicinal Chemistry. 59:5780-5789
Ligand binding to membrane proteins may be significantly influenced by the interaction of ligands with the membrane. In particular, the microscopic ligand concentration within the membrane surface solvation layer may exceed that in bulk solvent, resu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c55ba80313cb6b5f1b928a1bb68ece56
https://doi.org/10.1021/acs.jmedchem.6b00358
https://doi.org/10.1021/acs.jmedchem.6b00358