Zobrazeno 1 - 10
of 1 688
pro vyhledávání: '"Protein–ligand interaction"'
Autor:
Kristy A. Carpenter, Russ B. Altman
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1320-1338 (2024)
Many research groups and institutions have created a variety of databases curating experimental and predicted data related to protein-ligand binding. The landscape of available databases is dynamic, with new databases emerging and established databas
Externí odkaz:
https://doaj.org/article/368b581a917a4f8fa28803170055a5c6
Autor:
Elisa Fagnani, Francesco Bonì, Pierfausto Seneci, Davide Gornati, Luca Muzio, Eloise Mastrangelo, Mario Milani
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 23, Iss , Pp 1088-1093 (2024)
The stabilization of the retromer protein complex can be effective in the treatment of different neurological disorders. Following the identification of bis-1,3-phenyl guanylhydrazone 2a as an effective new compound for the treatment of amyotrophic l
Externí odkaz:
https://doaj.org/article/1cd32817805240faa098c6e2c29a04ba
Autor:
Arjun Acharya, Madan Khanal, Rajesh Maharjan, Kalpana Gyawali, Bhoj Raj Luitel, Rameshwar Adhikari, Deependra Das Mulmi, Tika Ram Lamichhane, Hari Prasad Lamichhane
Publikováno v:
AIMS Biophysics, Vol 11, Iss 2, Pp 142-165 (2024)
Lactoferrin, a member of the transferrin family, is one of the promoter proteins for calcium oxalate-type kidney stone formation. It exhibits a remarkable ability to interact with metals and oxalate ions. The prevalence of calcium oxalate in kidney s
Externí odkaz:
https://doaj.org/article/830a414a0bee48d78eceb7fa045f7f11
Autor:
Soukaina Bouamrane, Ayoub Khaldan, Marwa Alaqarbeh, Abdelouahid Sbai, Mohammed Aziz Ajana, Tahar Lakhlifi, Mohammed Bouachrine, Hamid Maghat
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100502- (2024)
Fungal infections are a growing public health problem worldwide. Despite the availability of several medicines, their efficacy is still constrained by fungal resistance. This research conducted the 2D/3D-QSAR analysis on twenty-nine triazole molecule
Externí odkaz:
https://doaj.org/article/ed52f1aba3dd48468596591a87199319
Publikováno v:
Smart Molecules, Vol 1, Iss 3, Pp n/a-n/a (2023)
Abstract Binding kinetic properties of protein–ligand complexes are crucial factors affecting the drug potency. Nevertheless, the current in silico techniques are insufficient in providing accurate and robust predictions for binding kinetic propert
Externí odkaz:
https://doaj.org/article/b006dc2af2c7436b840b4acdcc11f4d0
Autor:
Evgenia I. Deryusheva, Marina P. Shevelyova, Victoria A. Rastrygina, Ekaterina L. Nemashkalova, Alisa A. Vologzhannikova, Andrey V. Machulin, Alija A. Nazipova, Maria E. Permyakova, Sergei E. Permyakov, Ekaterina A. Litus
Publikováno v:
International Journal of Molecular Sciences, Vol 25, Iss 9, p 4975 (2024)
An imbalance between production and excretion of amyloid β peptide (Aβ) in the brain tissues of Alzheimer’s disease (AD) patients leads to Aβ accumulation and the formation of noxious Aβ oligomers/plaques. A promising approach to AD prevention
Externí odkaz:
https://doaj.org/article/13da58891790473396907e3e6eba0ba5
Publikováno v:
Results in Engineering, Vol 19, Iss , Pp 101335- (2023)
As an important theoretical computation method in computer-aided drug design, molecular docking has significantly shifted the paradigm of drug discovery. As one of the open-source docking software, Autodock Vina (Vina) is widely popular, but the lack
Externí odkaz:
https://doaj.org/article/d1c929756b8644ba8119643ef41e1fd4
Autor:
Mahmoud A. El Hassab, Wagdy M. Eldehna, Sara T. Al-Rashood, Amal Alharbi, Razan O. Eskandrani, Hamad M. Alkahtani, Eslam B. Elkaeed, Sahar M. Abou-Seri
Publikováno v:
Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 37, Iss 1, Pp 563-572 (2022)
On account of its crucial role in the virus life cycle, SARS-COV-2 NSP13 helicase enzyme was exploited as a promising target to identify a novel potential inhibitor using multi-stage structure-based drug discovery approaches. Firstly, a 3D pharmacoph
Externí odkaz:
https://doaj.org/article/dfc6cfd0c7e74656b4564f0943aef227
Publikováno v:
Zhipu Xuebao, Vol 43, Iss 6, Pp 730-739 (2022)
Native mass spectrometry (MS) enables the maintenance of intramolecular and intermolecular noncovalent interactions in the gas phase, thus can be used for characterization of proteins and protein complexes under the near “native” conditions. Ion
Externí odkaz:
https://doaj.org/article/8e7b6d3dce75408c892a971dfd49e2d9
Autor:
Enrico O. Purisima, Christopher R. Corbeil, Francis Gaudreault, Wanlei Wei, Christophe Deprez, Traian Sulea
Publikováno v:
Frontiers in Molecular Biosciences, Vol 10 (2023)
Scoring functions are ubiquitous in structure-based drug design as an aid to predicting binding modes and estimating binding affinities. Ideally, a scoring function should be broadly applicable, obviating the need to recalibrate and refit its paramet
Externí odkaz:
https://doaj.org/article/6af386baeb524da2aa8fe61f44a00bc2