Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Leo Gendelev"'
Autor:
Paul Beroza, James J. Crawford, Oleg Ganichkin, Leo Gendelev, Seth F. Harris, Raphael Klein, Anh Miu, Stefan Steinbacher, Franca-Maria Klingler, Christian Lemmen
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-10 (2022)
Virtual screening of huge libraries is successful in identifying drug leads. Here, the authors describe a computational strategy, Chemical Space Docking, which combines docking with a reaction-based search of compounds, thereby enabling the explorati
Externí odkaz:
https://doaj.org/article/92730f41f1224e6e9e787ec4095a9009
Autor:
Matthew N. McCarroll, Leo Gendelev, Reid Kinser, Jack Taylor, Giancarlo Bruni, Douglas Myers-Turnbull, Cole Helsell, Amanda Carbajal, Capria Rinaldi, Hye Jin Kang, Jung Ho Gong, Jason K. Sello, Susumu Tomita, Randall T. Peterson, Michael J. Keiser, David Kokel
Publikováno v:
Nature Communications, Vol 10, Iss 1, Pp 1-14 (2019)
Some anesthetics despite being generally associated with sedation, can also increase brain activity—a phenomenon called paradoxical excitation. The authors identified dozens of compounds that generally decrease neuronal activity, but increase activ
Externí odkaz:
https://doaj.org/article/800557a8a9ec49a7a80e98ddf53a8be2
Autor:
Paul Beroza, James J. Crawford, Oleg Ganichkin, Leo Gendelev, Seth F. Harris, Raphael Klein, Anh Miu, Stefan Steinbacher, Franca-Maria Klingler, Christian Lemmen
Publikováno v:
Nature communications. 13(1)
With the ever-increasing number of synthesis-on-demand compounds for drug lead discovery, there is a great need for efficient search technologies. We present the successful application of a virtual screening method that combines two advances: (1) it
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6a55df6e0167183b5eeba50041616d38
https://pubmed.ncbi.nlm.nih.gov/36307407
https://pubmed.ncbi.nlm.nih.gov/36307407
Autor:
Douglas Myers-Turnbull, Jack C Taylor, Cole Helsell, Matthew N McCarroll, Chris S Ki, Tia A Tummino, Shreya Ravikumar, Reid Kinser, Leo Gendelev, Rebekah Alexander, Michael J Keiser, David Kokel
Purpose Compounds that act on the central nervous system (CNS) are crucial tools in drug discovery and neuroscience. To discover compounds with novel mechanisms of action, researchers have developed behavioral screens in larval zebrafish including va
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c9d38f3ac1518d69a76453d0973bde61
https://doi.org/10.1101/2020.01.01.891432
https://doi.org/10.1101/2020.01.01.891432
Autor:
Capria Rinaldi, Leo Gendelev, Randall T. Peterson, Reid Kinser, Cole Helsell, Giancarlo N. Bruni, Jack C. Taylor, Matthew N. McCarroll, Amanda Carbajal, Jung Ho Gong, Douglas Myers-Turnbull, Jason K. Sello, David Kokel, Hye Jin Kang, Michael J. Keiser, Susumu Tomita
Publikováno v:
Nature communications, vol 10, iss 1
Nature Communications, Vol 10, Iss 1, Pp 1-14 (2019)
Nature Communications
Nature Communications, Vol 10, Iss 1, Pp 1-14 (2019)
Nature Communications
Anesthetics are generally associated with sedation, but some anesthetics can also increase brain and motor activity—a phenomenon known as paradoxical excitation. Previous studies have identified GABAA receptors as the primary targets of most anesth
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58cc30638eaa09534fd1afd3af00f04d
https://escholarship.org/uc/item/8vz8j9rq
https://escholarship.org/uc/item/8vz8j9rq
Publikováno v:
ACS chemical biology, vol 11, iss 4
Many psychiatric drugs modulate the nervous system through multi-target mechanisms. However, systematic identification of multi-target compounds has been difficult using traditional in vitro screening assays. New approaches to phenotypic profiling in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e3086bb8f573dc0d03d9e82192cba090
https://doi.org/10.1021/acschembio.5b00800
https://doi.org/10.1021/acschembio.5b00800
Autor:
Xi Ping Huang, Seth D. Axen, Bryan L. Roth, Elena L. Caceres, Leo Gendelev, Michael J. Keiser
Publikováno v:
Journal of medicinal chemistry, vol 60, iss 17
Statistical and machine learning approaches predict drug-to-target relationships from 2D small-molecule topology patterns. One might expect 3D information to improve these calculations. Here we apply the logic of the Extended Connectivity FingerPrint
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0612b0e2a661d42b3703ab0bfa00cb48
https://pubmed.ncbi.nlm.nih.gov/28731335
https://pubmed.ncbi.nlm.nih.gov/28731335
Autor:
Ethan Fertsch, Barbara J. Caldarone, Andrew J. Rennekamp, Giancarlo N. Bruni, Dennis Lensen, Leo Gendelev, Michael J. Keiser, Eric Prinssen, Galen Carey, David Kokel, Parth Lakhani, Tama Evron, Paul J. Lorello, Sabine Kolczewski, Bryan L. Roth, Jack C. Taylor, Xi Ping Huang, Randall T. Peterson, Matthew N. McCarroll, Andrea Velenich
Publikováno v:
Nature chemical biology
Many psychiatric drugs act on multiple targets and therefore require screening assays that encompass a wide target space. With sufficiently rich phenotyping, and a large sampling of compounds, it should be possible to identify compounds with desired
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3292a670c7fbd17eb60a4638907a8148
https://pubmed.ncbi.nlm.nih.gov/27239787
https://pubmed.ncbi.nlm.nih.gov/27239787
We analyze the contribution of gamma-ray pulsars from the first Fermi-Large Area Telescope (LAT) catalogue to the local flux of cosmic-ray electrons and positrons (e+e-). We present new distance estimates for all Fermi gamma-ray pulsars, based on the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bab9cba91ee5119770de0091956c3ba2