Protein interactions, targeted drug design, and pharmacogenetics - Prof. Timothy Palzkill

SciVee ◽  
2008 ◽  
Keyword(s):  
Drug Design ◽  
Protein Interactions ◽  
Targeted Drug

The Development of Epigenetics and Related Inhibitors for Targeted Drug Design in Cancer Therapy

2019 ◽  
Vol 18 (28) ◽  
pp. 2380-2394 ◽  
Author(s):  
Na Liu ◽  
Rongtong Zhao ◽  
Yue Ma ◽  
Dongyuan Wang ◽  
Chen Yan ◽  
...  
Keyword(s):  
Drug Design ◽  
Rapid Development ◽  
Epigenetic Changes ◽  
Disease Treatment ◽  
Nucleosome Remodeling ◽  
Epigenetic Modifiers ◽  
The Us ◽  
Targeted Drug ◽  
Heritable Change ◽  
Lymphoma Therapy

Epigenetics process is the heritable change in gene function that does not involve changes in the DNA sequence. Until now, several types of epigenetic mechanisms have been characterized, including DNA methylation, histone modification (acetylation, methylation, etc.), nucleosome remodeling, and noncoding RNAs. With the biological investigations of these modifiers, some of them are identified as promoters in the process of various diseases, such as cancer, cardiovascular disease and virus infection. Epigenetic changes may serve as potential “first hits” for tumorigenesis. Hence, targeting epigenetic modifiers is being considered as a promising way for disease treatment. To date, six agents in two epigenetic target classes (DNMT and HDAC) have been approved by the US Food and Drug Administration (FDA). Most of these drugs are applied in leukemia, lymphoma therapy, or are combined with other drugs for the treatment of solid tumor. Due to the rapid development of epigenetics and epigenetics targeted drugs, it is becoming an emerging area in targeted drug design.

scholarly journals Structure-Based Stabilization of Non-native Protein–Protein Interactions of Coronavirus Nucleocapsid Proteins in Antiviral Drug Design

2020 ◽  
Vol 63 (6) ◽  
pp. 3131-3141 ◽  
Author(s):  
Shan-Meng Lin ◽  
Shih-Chao Lin ◽  
Jia-Ning Hsu ◽  
Chung-ke Chang ◽  
Ching-Ming Chien ◽  
...  
Keyword(s):  
Drug Design ◽  
Protein Interactions ◽  
Antiviral Drug ◽  
Native Protein ◽  
Protein Protein Interactions ◽  
Nucleocapsid Proteins

Nucleic acid targeted drug design

1993 ◽  
Vol 14 (10) ◽  
pp. 385-386
Author(s):  
James M. Veal
Keyword(s):  
Nucleic Acid ◽  
Drug Design ◽  
Targeted Drug

scholarly journals Elucidating the druggable interface of protein−protein interactions using fragment docking and coevolutionary analysis

2016 ◽  
Vol 113 (50) ◽  
pp. E8051-E8058 ◽  
Author(s):  
Fang Bai ◽  
Faruck Morcos ◽  
Ryan R. Cheng ◽  
Hualiang Jiang ◽  
José N. Onuchic
Keyword(s):  
Drug Design ◽  
Protein Interactions ◽  
Binding Sites ◽  
Hot Spots ◽  
Therapeutic Agents ◽  
Molecular Probes ◽  
Therapeutic Drug ◽  
Protein Protein Interactions ◽  
Protein Surface ◽  
Fragment Docking

Protein−protein interactions play a central role in cellular function. Improving the understanding of complex formation has many practical applications, including the rational design of new therapeutic agents and the mechanisms governing signal transduction networks. The generally large, flat, and relatively featureless binding sites of protein complexes pose many challenges for drug design. Fragment docking and direct coupling analysis are used in an integrated computational method to estimate druggable protein−protein interfaces. (i) This method explores the binding of fragment-sized molecular probes on the protein surface using a molecular docking-based screen. (ii) The energetically favorable binding sites of the probes, called hot spots, are spatially clustered to map out candidate binding sites on the protein surface. (iii) A coevolution-based interface interaction score is used to discriminate between different candidate binding sites, yielding potential interfacial targets for therapeutic drug design. This approach is validated for important, well-studied disease-related proteins with known pharmaceutical targets, and also identifies targets that have yet to be studied. Moreover, therapeutic agents are proposed by chemically connecting the fragments that are strongly bound to the hot spots.

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