Getting the most out of PubChem for virtual screening
S Kim - Expert opinion on drug discovery, 2016 - Taylor & Francis
Introduction: With the emergence of the 'big data'era, the biomedical research community
has great interest in exploiting publicly available chemical information for drug discovery …
has great interest in exploiting publicly available chemical information for drug discovery …
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 …
Discovery of multitarget-directed ligands against Alzheimer's disease through systematic prediction of chemical–protein interactions
To determine chemical–protein interactions (CPI) is costly, time-consuming, and labor-
intensive. In silico prediction of CPI can facilitate the target identification and drug discovery …
intensive. In silico prediction of CPI can facilitate the target identification and drug discovery …
3D-quantitative structure–activity relationship and antiviral effects of curcumin derivatives as potent inhibitors of influenza H1N1 neuraminidase
Y Lai, Y Yan, S Liao, Y Li, Y Ye, N Liu, F Zhao… - Archives of pharmacal …, 2020 - Springer
Curcumin derivatives have been shown to inhibit replication of human influenza A viruses
(IAVs). However, it is not clear whether curcumin and its derivatives can inhibit …
(IAVs). However, it is not clear whether curcumin and its derivatives can inhibit …
Predictions of BuChE inhibitors using support vector machine and naive Bayesian classification techniques in drug discovery
J Fang, R Yang, L Gao, D Zhou, S Yang… - Journal of chemical …, 2013 - ACS Publications
Butyrylcholinesterase (BuChE, EC 3.1. 1.8) is an important pharmacological target for
Alzheimer's disease (AD) treatment. However, the currently available BuChE inhibitor …
Alzheimer's disease (AD) treatment. However, the currently available BuChE inhibitor …
Discovery of new selective human aldose reductase inhibitors through virtual screening multiple binding pocket conformations
Aldose reductase reduces glucose to sorbitol. It plays a key role in many of the
complications arising from diabetes. Thus, aldose reductase inhibitors (ARI) have been …
complications arising from diabetes. Thus, aldose reductase inhibitors (ARI) have been …
Structure-based discovery of highly selective phosphodiesterase-9A inhibitors and implications for inhibitor design
F Meng, J Hou, YX Shao, PY Wu… - Journal of medicinal …, 2012 - ACS Publications
A new series of phosphodiesterase-9 (PDE9) inhibitors that contain a scaffold of 6-amino-
pyrazolopyrimidinone have been discovered by a combination of structure-based design …
pyrazolopyrimidinone have been discovered by a combination of structure-based design …
Rosmarinic acid derivatives' inhibition of glycogen synthase kinase-3β is the pharmacological basis of Kangen-Karyu in Alzheimer's disease
P Paudel, SH Seong, Y Zhou, CH Park, T Yokozawa… - Molecules, 2018 - mdpi.com
Inhibition of glycogen synthase kinase 3β (GSK-3β) is considered to be the central
therapeutic approach against Alzheimer's disease (AD). In the present study, boiled water …
therapeutic approach against Alzheimer's disease (AD). In the present study, boiled water …
Discovery of novel PDE9 inhibitors capable of inhibiting Aβ aggregation as potential candidates for the treatment of Alzheimer's disease
T Su, T Zhang, S Xie, J Yan, Y Wu, X Li, L Huang… - Scientific reports, 2016 - nature.com
Abstract Recently, phosphodiesterase-9 (PDE9) inhibitors and biometal-chelators have
received much attention as potential therapeutics for the treatment of Alzheimer's disease …
received much attention as potential therapeutics for the treatment of Alzheimer's disease …
Developing a straightforward route toward the synthesis of arylaminomaleimides by palladium-catalyzed arylation of one-pot synthesized aminomaleimides
E Taheri, F Jafarpour - Organic & Biomolecular Chemistry, 2024 - pubs.rsc.org
3-Aryl-4-aminomaleimides have well-demonstrated applications, such as being used as
fluorophores and inhibitors. However, their previous synthesis methods have involved …
fluorophores and inhibitors. However, their previous synthesis methods have involved …