Structure-based drug design strategies and challenges
X Wang, K Song, L Li, L Chen - Current Topics in Medicinal …, 2018 - ingentaconnect.com
Over the past ten years, the number of three-dimensional protein structures identified by
advanced science and technology increases, and the gene information becomes more …
advanced science and technology increases, and the gene information becomes more …
Molecular basis of mammalian odor discrimination: a status report
E Block - Journal of agricultural and Food Chemistry, 2018 - ACS Publications
Humans have 396 unique, intact olfactory receptors (ORs), G-protein coupled receptors
(GPCRs) containing receptor-specific binding sites; other mammals have more. Activation of …
(GPCRs) containing receptor-specific binding sites; other mammals have more. Activation of …
Molecular modeling of histamine receptors—recent advances in drug discovery
P Mehta, P Miszta, S Filipek - Molecules, 2021 - mdpi.com
The recent developments of fast reliable docking, virtual screening and other algorithms
gave rise to discovery of many novel ligands of histamine receptors that could be used for …
gave rise to discovery of many novel ligands of histamine receptors that could be used for …
Computational investigations on the binding mode of ligands for the cannabinoid-activated G protein-coupled receptor GPR18
A Neumann, V Engel, AB Mahardhika, CT Schoeder… - Biomolecules, 2020 - mdpi.com
GPR18 is an orphan G protein-coupled receptor (GPCR) expressed in cells of the immune
system. It is activated by the cannabinoid receptor (CB) agonist∆ 9-tetrahydrocannabinol …
system. It is activated by the cannabinoid receptor (CB) agonist∆ 9-tetrahydrocannabinol …
Improvising 5-HT7R homology model for design of high affinity ligands: model validation with docking, embrace minimization, MM-GBSA, and molecular dynamic …
P Jha, S Chaturvedi, Swastika, S Pal… - Journal of …, 2018 - Taylor & Francis
The subtype, 5-HT7R has been implicated in neurological disorders and presents itself as a
promising target for antidepressant drugs. Design of targeted selective ligands, require a …
promising target for antidepressant drugs. Design of targeted selective ligands, require a …
Ligand binding mechanisms in human cone visual pigments
Vertebrate vision starts with light absorption by visual pigments in rod and cone
photoreceptor cells of the retina. Rhodopsin, in rod cells, responds to dim light, whereas …
photoreceptor cells of the retina. Rhodopsin, in rod cells, responds to dim light, whereas …
Molecular modelling studies on 2-substituted octahydropyrazinopyridoindoles for histamine H2 receptor antagonism
The human histamine H2 receptor (hH2HR) is a G-protein coupled receptor protein with
seven transmembrane (TM)-spanning helices primarily involved in regulation of gastric acid …
seven transmembrane (TM)-spanning helices primarily involved in regulation of gastric acid …
Computer Aided Drug Design
Various challenges such as cost and time consumption problems associated with traditional
drug design and development process have been overcome with in silico approaches …
drug design and development process have been overcome with in silico approaches …
Integration on ligand and structure based approaches in GPCRs
The GPCRs are involved in wide range of physiological functions and pathological
conditions and hence they are considered drug targets of immense pharmaceutical …
conditions and hence they are considered drug targets of immense pharmaceutical …
Molecular modelling approaches for the analysis of histamine receptors and their interaction with ligands
A Strasser, HJ Wittmann - Histamine and Histamine Receptors in Health …, 2017 - Springer
Several experimental techniques to analyse histamine receptors are available, eg
pharmacological characterisation of known or new compounds by different types of assays …
pharmacological characterisation of known or new compounds by different types of assays …