Computational polypharmacology: a new paradigm for drug discovery
Introduction: Over the past couple of years, the cost of drug development has sharply
increased along with the high rate of clinical trial failures. Such increase in expenses is …
increased along with the high rate of clinical trial failures. Such increase in expenses is …
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 …
Multitarget drug discovery for Alzheimer's disease: triazinones as BACE‐1 and GSK‐3β inhibitors
F Prati, A De Simone, P Bisignano… - Angewandte …, 2015 - Wiley Online Library
Cumulative evidence strongly supports that the amyloid and tau hypotheses are not mutually
exclusive, but concomitantly contribute to neurodegeneration in Alzheimer′ s disease (AD) …
exclusive, but concomitantly contribute to neurodegeneration in Alzheimer′ s disease (AD) …
[HTML][HTML] Fragment-based drug discovery by NMR. Where are the successes and where can it be improved?
LG Mureddu, GW Vuister - Frontiers in molecular biosciences, 2022 - frontiersin.org
Over the last century, the definitions of pharmaceutical drug and drug discovery have
changed considerably. Evolving from an almost exclusively serendipitous approach, drug …
changed considerably. Evolving from an almost exclusively serendipitous approach, drug …
[HTML][HTML] In silico study of traditional Chinese medicinal compounds targeting alzheimer's disease amyloid beta-peptide (1–42)
VN Kumar, T Tamilanban, TS Sultana, K Manasa… - Chemical Physics …, 2023 - Elsevier
The objective of this study is to recognize the potential traditional Chinese medicinal
compound by virtual screening and docking analysis for the amyloid-beta disaggregation …
compound by virtual screening and docking analysis for the amyloid-beta disaggregation …
In silico screening of glycogen synthase kinase-3β targeted ligands against acetylcholinesterase and its probable relevance to Alzheimer's disease
Alzheimer's disease (AD) is a growing global health concern that affects 10% of the
population aged above 65 years. A growing body of evidence indicates that multi-targeted …
population aged above 65 years. A growing body of evidence indicates that multi-targeted …
Computational approaches in drug discovery and design
Drug discovery is an expensive and complicated process. The drug must fulfill some criteria
of being nontoxic, bioavailable, and potent. In the view of evermore stringent demands about …
of being nontoxic, bioavailable, and potent. In the view of evermore stringent demands about …
[HTML][HTML] Comparative molecular docking studies of lupeol and lupenone isolated from Pueraria lobata that inhibits BACE1: Probable remedies for Alzheimer's disease
P Koirala, SH Seong, HA Jung, JS Choi - Asian Pacific journal of tropical …, 2017 - Elsevier
Objective To discover lead lupane triterpenoid's potential isolated from Pueraria lobata roots
against β-site amyloid precursor protein cleaving enzyme 1 (BACE1), which serve as a rate …
against β-site amyloid precursor protein cleaving enzyme 1 (BACE1), which serve as a rate …
Recent applications of heteropolyacids and related compounds in heterocycle synthesis. Contributions between 2010 and 2020
Over the past two decades, polyoxometalates (POM) have received considerable attention
as solid catalysts, due to their unique physicochemical characteristics, since, first, they have …
as solid catalysts, due to their unique physicochemical characteristics, since, first, they have …
A role for fragment-based drug design in developing novel lead compounds for central nervous system targets
MJ Wasko, KA Pellegrene, JD Madura… - Frontiers in …, 2015 - frontiersin.org
Hundreds of millions of US dollars are invested in the research and development of a single
drug. Lead compound development is an area ripe for new design strategies. Therapeutic …
drug. Lead compound development is an area ripe for new design strategies. Therapeutic …