Structure and pharmacologic modulation of inhibitory glycine receptors

CF Burgos, GE Yévenes, LG Aguayo - Molecular pharmacology, 2016 - ASPET
Glycine receptors (GlyR) are inhibitory Cys-loop ion channels that contribute to the control of
excitability along the central nervous system (CNS). GlyR are found in the spinal cord and …

Use of molecular dynamics simulations in structure-based drug discovery

I Bera, PV Payghan - Current pharmaceutical design, 2019 - ingentaconnect.com
Background: Traditional drug discovery is a lengthy process which involves a huge amount
of resources. Modern-day drug discovers various multidisciplinary approaches amongst …

Ionotropic GABA receptor antagonism-induced adverse outcome pathways for potential neurotoxicity biomarkers

P Gong, H Hong, EJ Perkins - Biomarkers in Medicine, 2015 - Taylor & Francis
Antagonism of ionotropic GABA receptors (iGABARs) can occur at three distinct types of
receptor binding sites causing chemically induced epileptic seizures. Here we review three …

In silico molecular modeling, neuro-behavioral profile, and toxicity assessment of the essential oil of Ferula gummosa Boiss. As an anti-seizure agent

M Bashiri-Nahnjeh, A Sarihi, A Ebadi, D Dastan… - Journal of …, 2023 - Elsevier
Abstract Ethnopharmacological relevance Ferula gummosa Boiss., known in Persian as
“Baridje,” belongs to the Apiaceae family. All parts of this plant, especially the root, contain …

GABAA receptor family: overview on structural characterization

MJ Amundarain, RP Ribeiro, MD Costabel… - Future medicinal …, 2019 - Taylor & Francis
The pentameric γ-aminobutyric acid type A receptors are ion channels activated by ligands,
which intervene in the rapid inhibitory transmission in the mammalian CNS. Due to their rich …

Insect RDL Receptor Models for Virtual Screening: Impact of the Template Conformational State in Pentameric Ligand-Gated Ion Channels

I Felsztyna, MA Villarreal, DA García, V Miguel - ACS omega, 2022 - ACS Publications
The RDL receptor is one of the most relevant protein targets for insecticide molecules. It
belongs to the pentameric ligand-gated ion channel (pLGIC) family. Given that the …

Computational studies for structure-based drug Designing Against Transmembrane Receptors: pLGICs and class A GPCRs

PV Payghan, I Bera, D Bhattacharyya… - Frontiers in …, 2018 - frontiersin.org
Biological cell is the fundamental building block of every living system. The plasma
membrane, a phospholipid bilayer consisting of two asymmetric leaflets, defines its …

Binding site opening by loop C shift and chloride ion-pore interaction in the GABA A receptor model

MA Michałowski, S Kraszewski… - Physical Chemistry …, 2017 - pubs.rsc.org
GABAA receptors (GABAARs) are crucial in mediating inhibition in the adult mammalian
brain. Although the kinetics of this receptor has been extensively studied, the molecular …

Capturing state-dependent dynamic events of GABAA-receptors: a microscopic look into the structural and functional insights

PV Payghan, I Bera, D Bhattacharyya… - Journal of Biomolecular …, 2016 - Taylor & Francis
The γ-amino butyric acid type A receptors (GABAA-Rs) are the key players in the
mammalian brain that meditate fast inhibitory neurotransmission events. The structural …

Predicting substrate selectivity between UGT1A9 and UGT1A10 using molecular modelling and molecular dynamics approach

SP Tripathi, R Prajapati, N Verma… - Molecular …, 2016 - Taylor & Francis
Uridine 5′-diphospho-glucuronosyltransferase-1A9 (UGT1A9) expressed in the liver,
shows good sequence identity with UGT1A10, expressed in the intestine. Both uridine 5 …