Development of a Web-Server for Identification of Common Lead Molecules for Multiple Protein Targets

2018 ◽  
pp. 487-504
Author(s):  
Abhilash Jayaraj ◽  
Ruchika Bhat ◽  
Amita Pathak ◽  
Manpreet Singh ◽  
B. Jayaram
Keyword(s):  
Web Server ◽  
Protein Targets ◽  
Common Lead ◽  
Multiple Protein

Simultaneous Identification of Multiple Protein Targets by Using Complementary-DNA Phage Display and a Natural-Product-Mimetic Probe

2004 ◽  
Vol 43 (31) ◽  
pp. 4052-4055 ◽  
Author(s):  
Kathleen M. McKenzie ◽  
Elizabeth J. Videlock ◽  
Ute Splittgerber ◽  
David J. Austin
Keyword(s):  
Phage Display ◽  
Natural Product ◽  
Protein Targets ◽  
Complementary Dna ◽  
Multiple Protein ◽  
Simultaneous Identification

scholarly journals PROMALS web server for accurate multiple protein sequence alignments

2007 ◽  
Vol 35 (Web Server) ◽  
pp. W649-W652 ◽  
Author(s):  
J. Pei ◽  
B.-H. Kim ◽  
M. Tang ◽  
N. V. Grishin
Keyword(s):  
Protein Sequence ◽  
Web Server ◽  
Sequence Alignments ◽  
Multiple Protein

scholarly journals MultiFit: a web server for fitting multiple protein structures into their electron microscopy density map

2011 ◽  
Vol 39 (suppl) ◽  
pp. W167-W170 ◽  
Author(s):  
E. Tjioe ◽  
K. Lasker ◽  
B. Webb ◽  
H. J. Wolfson ◽  
A. Sali
Keyword(s):  
Electron Microscopy ◽  
Protein Structures ◽  
Web Server ◽  
Multiple Protein ◽  
Density Map

Optimization of aptamer microarray technology for multiple protein targets

2006 ◽  
Vol 564 (1) ◽  
pp. 82-90 ◽  
Author(s):  
Eun Jeong Cho ◽  
James R. Collett ◽  
Anna E. Szafranska ◽  
Andrew D. Ellington
Keyword(s):  
Microarray Technology ◽  
Protein Targets ◽  
Multiple Protein

scholarly journals Multi-Targeting Approach in Selection of Potential Molecule for COVID-19 Treatment

2020 ◽  
Author(s):  
Varalakshmi Velagacherla ◽  
Akhil Suresh ◽  
Chetan H Mehta ◽  
Yogendra Nayak ◽  
Usha Y Nayak
Keyword(s):  
Md Simulations ◽  
Viral Proteins ◽  
Spike Protein ◽  
Protein Targets ◽  
Angiotensin Converting Enzyme 2 ◽  
Main Protease ◽  
Multiple Protein ◽  
Approved Drugs ◽  
Viral Target ◽  
Selection Of

Abstract Background: Coronavirus disease (COVID-19) caused by the severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) is now a pandemic which began in Wuhan province of China. Drug discovery teams around the globe are in a race to develop a medicine for its management. For a novel molecule to enter into the market it takes time and the ideal way is to exploit the already approved drugs and repurpose them to use therapeutically.Methods: In this work, we have attempted to screen selected molecules that have shown an affinity towards multiple protein targets of COVID-19 using Schrödinger suit. Molecules were selected from approved antiviral, anti-inflammatory or immunomodulatory classes. The viral proteins selected were angiotensin-converting enzyme 2 (ACE2), main protease (Mpro) and spike protein. Computational tools such as molecular docking, prime MM-GBSA, induced-fit docking (IFD) and molecular dynamics (MD) simulations were used to identify the most suitable molecule that forms a stable interaction with the selected viral proteins.Results: The ligand-binding stability for the viral proteins PDB-IDs 1ZV8 (spike protein), 5R82 (Mpro) and 6M1D (ACE2), was in the order of Nintedanib>Quercetin, Nintedanib>Darunavir, Nintedanib> Baricitinib respectively. The MM-GBSA, IFD, and MD simulation studies infer that the drug nintedanib has the highest binding stability among the shortlisted molecules towards the selected viral target proteins. Conclusion: Nintedanib, which is primarily used for idiopathic pulmonary fibrosis, can be considered for repurposing and used in the management of COVID-19.

Abstract P028: Proteomic approaches define rocaglates as translation remodelers with multiple protein targets

2021 ◽  
Author(s):  
Tyler A. Cunningham ◽  
J. J. David Ho ◽  
Paola Manara ◽  
Stephen Lee ◽  
Jonathan H. Schatz
Keyword(s):  
Protein Targets ◽  
Multiple Protein

scholarly journals idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach

2012 ◽  
Vol 40 (W1) ◽  
pp. W393-W399 ◽  
Author(s):  
Jui-Chih Wang ◽  
Pei-Ying Chu ◽  
Chung-Ming Chen ◽  
Jung-Hsin Lin
Keyword(s):  
Web Server ◽  
Divide And Conquer ◽  
Scoring Functions ◽  
Protein Targets ◽  
Docking Approach ◽  
Small Chemical

scholarly journals Probing Multi-Target Action of Phlorotannins as New Monoamine Oxidase Inhibitors and Dopaminergic Receptor Modulators with the Potential for Treatment of Neuronal Disorders

Marine Drugs ◽  
2019 ◽  
Vol 17 (6) ◽  
pp. 377 ◽  
Author(s):  
Su Hui Seong ◽  
Pradeep Paudel ◽  
Jeong-Wook Choi ◽  
Dong Hyun Ahn ◽  
Taek-Jeong Nam ◽  
...  
Keyword(s):  
Monoamine Oxidase ◽  
Active Sites ◽  
Binding Pocket ◽  
Functional Assay ◽  
Protein Targets ◽  
Multiple Protein ◽  
Target Action ◽  
Binding Pockets ◽  
Single Compound ◽  
Neuronal Disorders

Modulation of multiple protein targets with a single compound is essential for the effective treatment of central nervous system disorders. In our previous G protein-coupled receptor (GPCR) cell-based study, a selective human monoamine oxidase (hMAO)-A inhibitor, eckol, stimulated activity of dopamine D3 and D4 receptors. This result led to our interest in marine phlorotannin-mediated modulation of hMAO enzymes and related GPCRs in neuronal disorders. Here, we evaluate the multi-target effects of phloroglucinol, phlorofucofuroeckol-A (PFF-A), and dieckol by screening their modulatory activity against hMAO-A and -B and various neuronal GPCRs. Among the tested phlorotannins, PFF-A showed the strongest inhibitory activity against both hMAO isoforms, with higher selectivity toward hMAO-B than hMAO-A. Enzyme kinetics and docking data revealed that PFF-A noncompetitively acts on hMAOs into the alternative binding pocket of enzymes with allosteric functions. In a functional assay for GPCR screening, dieckol and PFF-A exhibited a multi-target combination of D3R/D4R agonism and D1/5HT1A/NK1 antagonism. In particular, they effectively stimulated D3R and D4R, compared to other GPCRs. Docking analysis confirmed that dieckol and PFF-A successfully docked into the conserved active sites of D3R and D4R and interacted with aspartyl and serine residues in the orthosteric binding pockets of the respective receptors. Based on our experimental and computational data, we established the structure-activity relationship between tested phlorotannins and target proteins, including hMAOs and GPCRs. Our current findings suggest that hMAO inhibitors dieckol and PFF-A, major phlorotannins of edible brown algae with multi-action on GPCRs, are potential agents for treatment of psychological disorders and Parkinson’s disease.

scholarly journals Cortactin signalling and dynamic actin networks

2004 ◽  
Vol 382 (1) ◽  
pp. 13-25 ◽  
Author(s):  
Roger J. DALY
Keyword(s):  
Tyrosine Kinase ◽  
Actin Cytoskeleton ◽  
Current Knowledge ◽  
Actin Binding ◽  
Related Protein ◽  
Protein Targets ◽  
Actin Networks ◽  
Multiple Protein ◽  
Initial Characterization

Cortactin was first identified over a decade ago, and its initial characterization as both an F-actin binding protein and v-Src substrate suggested that it was likely to be a key regulator of actin rearrangements in response to tyrosine kinase signalling. The recent discovery that cortactin binds and activates the actin related protein (Arp)2/3 complex, and thus regulates the formation of branched actin networks, together with the identification of multiple protein targets of the cortactin SH3 domain, have revealed diverse cellular roles for this protein. This article reviews current knowledge regarding the role of cortactin in signalling to the actin cytoskeleton in the context of these developments.

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