Integrated computational approaches and tools for allosteric drug discovery

O Sheik Amamuddy, W Veldman, C Manyumwa… - International journal of …, 2020 - mdpi.com
Understanding molecular mechanisms underlying the complexity of allosteric regulation in
proteins has attracted considerable attention in drug discovery due to the benefits and …

Recent advances in the discovery of nicotinic acetylcholine receptor allosteric modulators

D Manetti, S Dei, HR Arias, L Braconi, A Gabellini… - Molecules, 2023 - mdpi.com
Positive allosteric modulators (PAMs), negative allosteric modulators (NAMs), silent
agonists, allosteric activating PAMs and neutral or silent allosteric modulators are …

Allosteric modulation of nicotinic acetylcholine receptors

A Chatzidaki, NS Millar - Biochemical pharmacology, 2015 - Elsevier
Nicotinic acetylcholine receptors (nAChRs) are receptors for the neurotransmitter
acetylcholine and are members of the 'Cys-loop'family of pentameric ligand-gated ion …

Inside-out neuropharmacology of nicotinic drugs

BJ Henderson, HA Lester - Neuropharmacology, 2015 - Elsevier
Upregulation of neuronal nicotinic acetylcholine receptors (AChRs) is a venerable result of
chronic exposure to nicotine; but it is one of several consequences of pharmacological …

Strategies for the discovery of potential anticancer agents from plants collected from Southeast Asian tropical rainforests as a case study

EJC de Blanco, EM Addo, HL Rakotondraibe… - Natural Product …, 2023 - pubs.rsc.org
Covering up to early 2023 The present review summarizes recent accomplishments made
as part of a multidisciplinary, multi-institutional anticancer drug discovery project, wherein …

Effects of neuronal nicotinic acetylcholine receptor allosteric modulators in animal behavior studies

AA Pandya, JL Yakel - Biochemical pharmacology, 2013 - Elsevier
Nicotinic acetylcholine receptors (nAChRs) are ligand-gated cation-conducting
transmembrane channels from the cys-loop receptor superfamily. The neuronal subtypes of …

Insights into nicotinic receptor signaling in nicotine addiction: implications for prevention and treatment

W Liu, MD Li - Current neuropharmacology, 2018 - ingentaconnect.com
Background: Nicotinic acetylcholine receptors (nAChRs) belong to the Cys-loop ligandgated
ion-channel (LGIC) superfamily, which also includes the GABA, glycine, and serotonin …

Structure–activity relationship studies of sulfonylpiperazine analogues as novel negative allosteric modulators of human neuronal nicotinic receptors

BJ Henderson, DJ Carper… - Journal of medicinal …, 2011 - ACS Publications
Neuronal nicotinic receptors have been implicated in several diseases and disorders such
as autism, Alzheimer's disease, Parkinson's disease, epilepsy, and various forms of …

Defining the putative inhibitory site for a selective negative allosteric modulator of human α4β2 neuronal nicotinic receptors

BJ Henderson, TF González-Cestari, B Yi… - ACS chemical …, 2012 - ACS Publications
Neuronal nicotinic receptors (nAChRs) have been implicated in several diseases and
disorders such as autism spectrum disorders, Alzheimer's disease, Parkinson's disease …

Physical and virtual screening methods for marine toxins and drug discovery targeting nicotinic acetylcholine receptors

J Molgó, R Aráoz, E Benoit, BI Iorga - Expert opinion on drug …, 2013 - Taylor & Francis
Introduction: Nicotinic acetylcholine receptors (nAChRs) have been extensively studied
because of their importance in physiological processes and their involvement in a number of …