Target/Action in SwiftUI

2020 ◽  
pp. 181-194
Author(s):  
Bear Cahill
Keyword(s):  
Target Action

scholarly journals Multi-Targeting Bioactive Compounds Extracted from Essential Oils as Kinase Inhibitors

Molecules ◽  
2020 ◽  
Vol 25 (9) ◽  
pp. 2174 ◽  
Author(s):  
Annalisa Maruca ◽  
Delia Lanzillotta ◽  
Roberta Rocca ◽  
Antonio Lupia ◽  
Giosuè Costa ◽  
...  
Keyword(s):  
Essential Oils ◽  
Binding Affinity ◽  
Structural Changes ◽  
Kinase Inhibitors ◽  
Synergistic Effects ◽  
Data Bank ◽  
Binding Modes ◽  
Starting Point ◽  
Target Action ◽  
Potential Resource

Essential oils (EOs) are popular in aromatherapy, a branch of alternative medicine that claims their curative effects. Moreover, several studies reported EOs as potential anti-cancer agents by inducing apoptosis in different cancer cell models. In this study, we have considered EOs as a potential resource of new kinase inhibitors with a polypharmacological profile. On the other hand, computational methods offer the possibility to predict the theoretical activity profile of ligands, discovering dangerous off-targets and/or synergistic effects due to the potential multi-target action. With this aim, we performed a Structure-Based Virtual Screening (SBVS) against X-ray models of several protein kinases selected from the Protein Data Bank (PDB) by using a chemoinformatics database of EOs. By evaluating theoretical binding affinity, 13 molecules were detected among EOs as new potential kinase inhibitors with a multi-target profile. The two compounds with higher percentages in the EOs were studied more in depth by means Induced Fit Docking (IFD) protocol, in order to better predict their binding modes taking into account also structural changes in the receptor. Finally, given its good binding affinity towards five different kinases, cinnamyl cinnamate was biologically tested on different cell lines with the aim to verify the antiproliferative activity. Thus, this work represents a starting point for the optimization of the most promising EOs structure as kinase inhibitors with multi-target features.

Abstract 671: BKM120-mediated G2 arrest: Structural and functional segregation of off-target action and PI3K inhibition

2015 ◽  
Author(s):  
Thomas Bohnacker ◽  
Florent Beaufils ◽  
Andrea E. Prota ◽  
John E. Burke ◽  
Anna Melone ◽  
...  
Keyword(s):  
G2 Arrest ◽  
Pi3k Inhibition ◽  
Target Action

Analgesics

2013 ◽  
Author(s):  
Joanne Foo ◽  
Benazir Saleem ◽  
Philip G. Conaghan
Keyword(s):  
Neuropathic Pain ◽  
Monoclonal Antibodies ◽  
Nerve Growth Factor ◽  
Growth Factor ◽  
Side Effects ◽  
Multiple Target ◽  
New Agents ◽  
Presenting Symptoms ◽  
Target Action

Pain is one of the commonest presenting symptoms of musculoskeletal disorders and may be one the hardest to treat successfully. The available analgesic options provide different modes of action and their ranks continue to expand with new agents, some with multiple target action. This chapter reviews currently available analgesics (paracetamol and opioids) used for managing musculoskeletal pain and the agents used for neuropathic pain, including their mechanism of action, pharmacokinetics and side effects. The role of neuroleptic agents is reviewed, and a brief outline of some newer therapies for the treatment of pain such as tapentadol, and a potential therapy, anti-nerve growth factor monoclonal antibodies.

scholarly journals A Proteomic View of Cellular Responses to Anticancer Quinoline-Copper Complexes

Proteomes ◽  
2019 ◽  
Vol 7 (2) ◽  
pp. 26 ◽  
Author(s):  
Bastien Dalzon ◽  
Joanna Bons ◽  
Hélène Diemer ◽  
Véronique Collin-Faure ◽  
Caroline Marie-Desvergne ◽  
...  
Keyword(s):  
Copper Complex ◽  
Copper Complexes ◽  
Leukemic Cell ◽  
Anticancer Activities ◽  
Proteomic Approach ◽  
Target Action ◽  
Biological Target ◽  
Ubiquitin Proteasome ◽  
Proteasome Pathway ◽  
Validation Experiments

Metal-containing drugs have long been used in anticancer therapies. The mechansims of action of platinum-based drugs are now well-understood, which cannot be said of drugs containing other metals, such as gold or copper. To gain further insights into such mechanisms, we used a classical proteomic approach based on two-dimensional elelctrophoresis to investigate the mechanisms of action of a hydroxyquinoline-copper complex, which shows promising anticancer activities, using the leukemic cell line RAW264.7 as the biological target. Pathway analysis of the modulated proteins highlighted changes in the ubiquitin/proteasome pathway, the mitochondrion, the cell adhesion-cytoskeleton pathway, and carbon metabolism or oxido-reduction. In line with these prteomic-derived hypotheses, targeted validation experiments showed that the hydroxyquinoline-copper complex induces a massive reduction in free glutathione and a strong alteration in the actin cytoskeleton, suggesting a multi-target action of the hydroxyquinoline-copper complex on cancer cells.

Clove Constituents as new leads for the Design and development of Multi-targeted Anti-Alzheimer activity

2021 ◽  
pp. 3515-3522
Author(s):  
Safiya Sultana T ◽  
Sivakumar M
Keyword(s):  
Virtual Screening ◽  
Oleanolic Acid ◽  
Docking Simulation ◽  
In Vitro Assays ◽  
Syzygium Aromaticum ◽  
Potential Candidate ◽  
Multiple Targets ◽  
Target Action ◽  
Anti Oxidant ◽  
Toxicity Estimation

Objective: To use virtual screening analysis to screen out the phytoconstituents of Syzygium aromaticum against multiple targets of AD and determine its anti-oxidant and inflammatory inhibitory property. Methods: The compounds listed out from Syzygium aromaticum were subjected to virtual screening based on their drug likeness property and bioactivity scores. The molecular docking simulation such as HEX 8.0, PyRx, MVD along with Auto Dock 4.2 were employed to determine the potential candidate for providing activity against multiple targets of AD. The toxicity estimation was also carried out using TEST software. The potential candidate was further evaluated using DPPH, FRAT, Albumin denaturation and Proteinase inhibition method. Results: Only eight phytoconstituents were selected for virtual screening as they possessed drug likeness property and better bioactivity score for inhibition of kinases, proteases and enzymes. The docking results from various tools predicted that Oleanolic acid can be considered as potential constituents for multi-target action against AD. Toxicity estimation was in range. It also exhibited anti-oxidant and inflammatory inhibition providing its evidence for anti-AD activity. Conclusion: Taken together, these virtual screening results and in-vitro assays suggest that Oleanolic acid has multi target action against AD, which can be proved further with in-vivo studies.

Analgesics

2013 ◽  
pp. 600-606
Author(s):  
Joanne Foo ◽  
Benazir Saleem ◽  
Philip G. Conaghan
Keyword(s):  
Neuropathic Pain ◽  
Monoclonal Antibodies ◽  
Nerve Growth Factor ◽  
Growth Factor ◽  
Side Effects ◽  
Mechanism Of Action ◽  
New Agents ◽  
Presenting Symptoms ◽  
Target Action

Pain is one of the commonest presenting symptoms of musculoskeletal disorders and may be one the hardest to treat successfully. The available analgesic options provide different modes of action and their ranks continue to expand with new agents, some with multiple target action. This chapter reviews currently available analgesics (paracetamol and opioids) used for managing musculoskeletal pain and the agents used for neuropathic pain, including their mechanism of action, pharmacokinetics and side effects. The role of neuroleptic agents is reviewed, and a brief outline of some newer therapies for the treatment of pain such as tapentadol, and a potential therapy, anti-nerve growth factor monoclonal antibodies.

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