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

2004 ◽  
Vol 116 (31) ◽  
pp. 4144-4147 ◽  
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

Simultaneous identification of multiple receptors of natural product using an optimized cDNA phage display cloning

2008 ◽  
Vol 18 (14) ◽  
pp. 3995-3998 ◽  
Author(s):  
Qing-Li He ◽  
Hui Jiang ◽  
Feng Zhang ◽  
Hai-Bao Chen ◽  
Gong-Li Tang
Keyword(s):  
Phage Display ◽  
Natural Product ◽  
Multiple Receptors ◽  
Simultaneous Identification

In Search of Novel Cancer Therapeutics: Assessing the NCI Natural Product Library against Ten Anti-Apoptotic Protein Targets

Planta Medica ◽  
2013 ◽  
Vol 79 (10) ◽  
Author(s):  
DB Divlianska ◽  
AE Wright ◽  
S Francis ◽  
MA Walters ◽  
CE Salomon ◽  
...  
Keyword(s):  
Natural Product ◽  
Cancer Therapeutics ◽  
Protein Targets ◽  
Apoptotic Protein ◽  
Natural Product Library

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 Multiplexed screening of thousands of natural products for protein-ligand binding in native mass spectrometry

2021 ◽  
Author(s):  
Giang Nguyen ◽  
Jack Bennett ◽  
Sherrie Liu ◽  
Sarah Hancock ◽  
Daniel Winter ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Natural Products ◽  
Drug Discovery ◽  
Small Molecules ◽  
Natural Product ◽  
Drug Targets ◽  
Structural Diversity ◽  
Native Mass Spectrometry ◽  
Protein Targets ◽  
Rapid Measurement

The structural diversity of natural products offers unique opportunities for drug discovery, but challenges associated with their isolation and screening can hinder the identification of drug-like molecules from complex natural product extracts. Here we introduce a mass spectrometry-based approach that integrates untargeted metabolomics with multistage, high-resolution native mass spectrometry to rapidly identify natural products that bind to therapeutically relevant protein targets. By directly screening crude natural product extracts containing thousands of drug-like small molecules using a single, rapid measurement, novel natural product ligands of human drug targets could be identified without fractionation. This method should significantly increase the efficiency of target-based natural product drug discovery workflows.

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.

Multiplexed screening of thousands of natural products for protein-ligand binding in native mass spectrometry

2021 ◽  
Author(s):  
Giang Nguyen ◽  
Jack Bennett ◽  
Sherrie Liu ◽  
Sarah Hancock ◽  
Daniel Winter ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Natural Products ◽  
Drug Discovery ◽  
Small Molecules ◽  
Natural Product ◽  
Drug Targets ◽  
Structural Diversity ◽  
Native Mass Spectrometry ◽  
Protein Targets ◽  
Rapid Measurement

The structural diversity of natural products offers unique opportunities for drug discovery, but challenges associated with their isolation and screening can hinder the identification of drug-like molecules from complex natural product extracts. Here we introduce a mass spectrometry-based approach that integrates untargeted metabolomics with multistage, high-resolution native mass spectrometry to rapidly identify natural products that bind to therapeutically relevant protein targets. By directly screening crude natural product extracts containing thousands of drug-like small molecules using a single, rapid measurement, novel natural product ligands of human drug targets could be identified without fractionation. This method should significantly increase the efficiency of target-based natural product drug discovery workflows.

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