Recent advances in computer-aided structure-based drug design on ion channels
Ion channels play important roles in fundamental biological processes, such as electric
signaling in cells, muscle contraction, hormone secretion, and regulation of the immune …
signaling in cells, muscle contraction, hormone secretion, and regulation of the immune …
Comprehensive survey of consensus docking for high-throughput virtual screening
C Blanes-Mira, P Fernández-Aguado… - Molecules, 2022 - mdpi.com
The rapid advances of 3D techniques for the structural determination of proteins and the
development of numerous computational methods and strategies have led to identifying …
development of numerous computational methods and strategies have led to identifying …
A Combined Ligand-and Structure-Based Virtual Screening To Identify Novel NaV1. 2 Blockers: In Vitro Patch Clamp Validation and In Vivo Anticonvulsant Activity
Epilepsy is a neurological disorder characterized by recurrent seizures that arise from
abnormal electrical activity in the brain. Voltage-gated sodium channels (NaVs), responsible …
abnormal electrical activity in the brain. Voltage-gated sodium channels (NaVs), responsible …
TRPV1 channel in the pathophysiology of epilepsy and its potential as a molecular target for the development of new antiseizure drug candidates
K Socała, M Jakubiec, M Abram, J Mlost… - Progress in …, 2024 - Elsevier
Identification of transient receptor potential cation channel, subfamily V member 1 (TRPV1),
also known as capsaicin receptor, in 1997 was a milestone achievement in the research on …
also known as capsaicin receptor, in 1997 was a milestone achievement in the research on …
Discovery of novel TRPV1 modulators through machine learning‐based molecular docking and molecular similarity searching
X Wei, Q Yang, Z Yang, T Huang… - Chemical Biology & …, 2023 - Wiley Online Library
The transient receptor potential vanilloid 1 (TRPV1) channel belongs to the transient
receptor potential channel superfamily and participates in many physiological processes …
receptor potential channel superfamily and participates in many physiological processes …
Targeting ion channels with ultra-large library screening for hit discovery
Ion channels play a crucial role in a variety of physiological and pathological processes,
making them attractive targets for drug development in diseases such as diabetes, epilepsy …
making them attractive targets for drug development in diseases such as diabetes, epilepsy …
Multidisciplinary Advances Address the Challenges in Develo** Drugs against Transient Receptor Potential Channels to Treat Metabolic Disorders
Y Wang - ChemMedChem, 2023 - Wiley Online Library
Transient receptor potential (TRP) channels are cation channels that regulate key
physiological and pathological processes in response to a broad range of stimuli. Moreover …
physiological and pathological processes in response to a broad range of stimuli. Moreover …
[HTML][HTML] In Silico Screening Identification of Fatty Acids and Fatty Acid Derivatives with Antiseizure Activity: In Vitro and In Vivo Validation
High fat diets have been used as complementary treatments for seizure disorders for more
than a century. Moreover, many fatty acids and derivatives, including the broad-spectrum …
than a century. Moreover, many fatty acids and derivatives, including the broad-spectrum …
The anti-seizure potential of cysteine leukotriene receptor antagonists: A systematic review of animal studies
A Bano, A Garg, MA Khan - Epilepsy Research, 2024 - Elsevier
Background Emerging literature has suggested the antiepileptic activity of cysteine
leukotriene receptor (CysLTR) antagonists in experimental animals of epilepsy …
leukotriene receptor (CysLTR) antagonists in experimental animals of epilepsy …
Docking guidance with experimental ligand structural density improves docking pose prediction and virtual screening performance
Recent advances in structural biology have led to the publica-tion of a wealth of high
resolution x-ray crystallography and cryo-EM macromolecule structures, including many …
resolution x-ray crystallography and cryo-EM macromolecule structures, including many …