[HTML][HTML] 3D pharmacophore-based virtual screening and docking approaches toward the discovery of novel HPPD inhibitors
Y Fu, YN Sun, KH Yi, MQ Li, HF Cao, JZ Li, F Ye - Molecules, 2017 - mdpi.com
p-Hydroxyphenylpyruvate dioxygenase (HPPD) is not only the useful molecular target in
treating life-threatening tyrosinemia type I, but also an important target for chemical …
treating life-threatening tyrosinemia type I, but also an important target for chemical …
[HTML][HTML] Combination of Virtual Screening Protocol by in Silico toward the Discovery of Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors
Y Fu, YN Sun, KH Yi, MQ Li, HF Cao, JZ Li… - Frontiers in Chemistry, 2018 - frontiersin.org
4-Hydroxyphenylpyruvate dioxygenase (EC 1.13. 11.27, HPPD) is a potent new bleaching
herbicide target. Therefore, in silico structure-based virtual screening was performed in …
herbicide target. Therefore, in silico structure-based virtual screening was performed in …
Pharmacophore modeling, virtual screening, molecular docking and dynamics studies for the discovery of HER2-tyrosine kinase inhibitors: An in-silico approach
GSP Matada, PS Dhiwar, N Abbas, E Singh… - Journal of Molecular …, 2022 - Elsevier
Breast cancer is the most common causes of death noticed in women globally. In order to
find an effective therapeutic agents our current investigation concentrating on an …
find an effective therapeutic agents our current investigation concentrating on an …
Design, synthesis, and computational validation of novel compounds selectively targeting HER2-expressing breast cancer
Human epidermal growth factor receptor (HER) is a family of multidomain proteins that plays
important role in the regulation of several biological functions. HER2 is a member of HER …
important role in the regulation of several biological functions. HER2 is a member of HER …
[HTML][HTML] Discovery of Potential Anti-infective Therapy Targeting Glutamine Synthetase in Staphylococcus xylosus
WQ Cui, QW Qu, JP Wang, JW Bai… - Frontiers in …, 2019 - frontiersin.org
Glutamine synthetase (GS), which catalyzes the production of glutamine, plays essential
roles in most biological growth and biofilm formation, suggesting that GS may be used as a …
roles in most biological growth and biofilm formation, suggesting that GS may be used as a …
[HTML][HTML] In Silico Comparison of Bioactive Compounds Characterized from Azadirachta indica with an FDA-Approved Drug against Schistosomal Agents: New Insight …
The burden of human schistosomiasis, a known but neglected tropical disease in Sub-
Saharan Africa, has been worrisome in recent years. It is becoming increasingly difficult to …
Saharan Africa, has been worrisome in recent years. It is becoming increasingly difficult to …
Network pharmacology based high throughput screening for identification of multi targeted anti-diabetic compound from traditionally used plants
The incurable Type 2 diabetes mellitus (T2DM) has now been considered a pandemic with
only supportive care in existence. Due to the adverse effects of available anti-diabetic drugs …
only supportive care in existence. Due to the adverse effects of available anti-diabetic drugs …
[HTML][HTML] Disruption of DYRK1A-induced hyperphosphorylation of amyloid-beta and tau protein in Alzheimer's disease: An integrative molecular modeling approach
Alzheimer's disease (AD) is a neurological disorder caused by the abnormal accumulation
of hyperphosphorylated proteins. Dual-specificity tyrosine phosphorylation-regulated kinase …
of hyperphosphorylated proteins. Dual-specificity tyrosine phosphorylation-regulated kinase …
An Integrative Approach to Study the Inhibition of Providencia vermicola FabD Using C2-Quaternary Indolinones
Background The present study investigates the potential bioactivity of twelve experimentally
designed C-2 quaternary indolinones against Providencia spp., a bacterial group of the …
designed C-2 quaternary indolinones against Providencia spp., a bacterial group of the …
Ligand-based pharmacophore screening strategy: A pragmatic approach for targeting HER proteins
N James, K Ramanathan - Applied biochemistry and biotechnology, 2018 - Springer
Targeting ErbB family of receptors is an important therapeutic option, because of its
essential role in the broad spectrum of human cancers, including non-small cell lung cancer …
essential role in the broad spectrum of human cancers, including non-small cell lung cancer …