ADMET profiling in drug discovery and development: perspectives of in silico, in vitro and integrated approaches
In the drug discovery setting, undesirable ADMET properties of a pharmacophore with good
predictive power obtained after a tedious drug discovery and development process may …
predictive power obtained after a tedious drug discovery and development process may …
Traditional Chinese medicinal herbs as potential AChE inhibitors for anti-Alzheimer's disease: A review
Y Jiang, H Gao, G Turdu - Bioorganic chemistry, 2017 - Elsevier
Alzheimer's disease (AD) is a progressive neurodegenerative disease affecting 25 million
people worldwide, and cholinergic hypothesis is considered as an important hypotheses in …
people worldwide, and cholinergic hypothesis is considered as an important hypotheses in …
Computer-aided prediction of pharmacokinetic (ADMET) properties
B Chandrasekaran, SN Abed, O Al-Attraqchi… - Dosage form design …, 2018 - Elsevier
The development of new drug candidates is really a very expensive process that consumes
time and effort. Hence, there is an urgent need to develop new methods that are capable of …
time and effort. Hence, there is an urgent need to develop new methods that are capable of …
The green synthesis and molecular docking of novel N-substituted rhodanines as effective inhibitors for carbonic anhydrase and acetylcholinesterase enzymes
Recently, inhibition effects of enzymes such as acetylcholinesterase (AChE) and carbonic
anhydrase (CA) has appeared as a promising approach for pharmacological intervention in …
anhydrase (CA) has appeared as a promising approach for pharmacological intervention in …
In silico drug discovery of Acetylcholinesterase and Butyrylcholinesterase enzymes inhibitors based on Quantitative Structure-Activity Relationship (QSAR) and drug …
In the last years, in order to achieve a better treatment of Alzheimer's disease (AD), much
focus has been put on the development of cholinesterase (Acetylcholinesterase and …
focus has been put on the development of cholinesterase (Acetylcholinesterase and …
In silico studies in drug research against neurodegenerative diseases
FR Makhouri, JB Ghasemi - Current neuropharmacology, 2018 - ingentaconnect.com
Background: Neurodegenerative diseases such as Alzheimer's disease (AD), amyotrophic
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
lateral sclerosis, Parkinson's disease (PD), spinal cerebellar ataxias, and spinal and bulbar …
Probing the origins of human acetylcholinesterase inhibition via QSAR modeling and molecular docking
S Simeon, N Anuwongcharoen, W Shoombuatong… - PeerJ, 2016 - peerj.com
Alzheimer's disease (AD) is a chronic neurodegenerative disease which leads to the
gradual loss of neuronal cells. Several hypotheses for AD exists (eg, cholinergic, amyloid …
gradual loss of neuronal cells. Several hypotheses for AD exists (eg, cholinergic, amyloid …
Molecular modeling approaches for the discovery of adenosine A2B receptor antagonists: current status and future perspectives
Highlights•Antagonists of A 2B adenosine receptor (A 2B AR) have potential for the
treatment of asthma and COPD.•Computer aided drug design (CADD) strategies used in the …
treatment of asthma and COPD.•Computer aided drug design (CADD) strategies used in the …
Synthesis and evaluation of 7, 8-dehydrorutaecarpine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease
Y He, PF Yao, S Chen, Z Huang, SL Huang… - European Journal of …, 2013 - Elsevier
A series of 7, 8-dehydrorutaecarpine derivatives were synthesized and characterized as
potential multifunctional agents for treatment of Alzheimer's disease (AD). All of these …
potential multifunctional agents for treatment of Alzheimer's disease (AD). All of these …
Dual binding site and selective acetylcholinesterase inhibitors derived from integrated pharmacophore models and sequential virtual screening
In this study, we have employed in silico methodology combining double pharmacophore
based screening, molecular docking, and ADME/T filtering to identify dual binding site …
based screening, molecular docking, and ADME/T filtering to identify dual binding site …