Editorial: Computer-Aided Drug Design, Synthesis and Evaluation of New Anti-Cancer Drugs

2013 ◽  
Vol 999 (999) ◽  
pp. 1-7 ◽  
Author(s):  
M. Natalia. D. S. Cordeiro ◽  
Alejandro Speck-Planche
Keyword(s):  
Drug Design ◽  
Cancer Drugs ◽  
Computer Aided Drug Design ◽  
Design Synthesis ◽  
Anti Cancer ◽  
Computer Aided

Computer Aided Drug Design Approaches to Develop Cyclooxygenase Based Novel Anti-Inflammatory and Anti-Cancer Drugs

2007 ◽  
Vol 13 (34) ◽  
pp. 3505-3517 ◽  
Author(s):  
R. Reddy ◽  
Ravichandra Mutyala ◽  
P. Aparoy ◽  
P. Reddanna ◽  
M. Reddy
Keyword(s):  
Drug Design ◽  
Cancer Drugs ◽  
Computer Aided Drug Design ◽  
Anti Cancer ◽  
Computer Aided ◽  
Anti Inflammatory

scholarly journals Computer-aided drug design, synthesis and identification of disulfide compounds as novel and potential allosteric PAK1 inhibitors

RSC Advances ◽  
2018 ◽  
Vol 8 (22) ◽  
pp. 11894-11901
Author(s):  
Hanwei Huang ◽  
Hailun Jiang ◽  
Xiangyu Zhang ◽  
Wei Li ◽  
Pengliang Wang ◽  
...  
Keyword(s):  
Protein Kinase ◽  
Drug Design ◽  
Tumor Cells ◽  
Signaling Network ◽  
Computer Aided Drug Design ◽  
Design Synthesis ◽  
Regulatory Factors ◽  
Evolutionarily Conserved ◽  
Computer Aided ◽  
P21 Activated Kinase

p21-activated kinase 1 (PAK1) is an evolutionarily conserved serine/threonine protein kinase, which has been considered as one of the key regulatory factors in signaling network of tumor cells.

Computer Aided Drug Design Approaches for Identification of Novel Autotaxin (ATX) Inhibitors

2016 ◽  
Vol 23 (17) ◽  
pp. 1708-1724 ◽  
Author(s):  
Eleni Vrontaki ◽  
Georgia Melagraki ◽  
Eleanna Kaffe ◽  
Thomas Mavromoustakos ◽  
George Kokotos ◽  
...  
Keyword(s):  
Drug Design ◽  
Computer Aided Drug Design ◽  
Computer Aided

Current Scenario in Structure and Ligand-Based Drug Design on Anti-colon Cancer Drugs

2019 ◽  
Vol 24 (32) ◽  
pp. 3829-3841 ◽  
Author(s):  
Lakshmanan Loganathan ◽  
Karthikeyan Muthusamy
Keyword(s):  
Drug Discovery ◽  
Drug Design ◽  
Anticancer Agent ◽  
Computational Power ◽  
Cancer Drugs ◽  
Recent Advances ◽  
Anti Cancer ◽  
Drug Designing ◽  
Current Scenario ◽  
Molecular Modeling Studies

Worldwide, colorectal cancer takes up the third position in commonly detected cancer and fourth in cancer mortality. Recent progress in molecular modeling studies has led to significant success in drug discovery using structure and ligand-based methods. This study highlights aspects of the anticancer drug design. The structure and ligand-based drug design are discussed to investigate the molecular and quantum mechanics in anti-cancer drugs. Recent advances in anticancer agent identification driven by structural and molecular insights are presented. As a result, the recent advances in the field and the current scenario in drug designing of cancer drugs are discussed. This review provides information on how cancer drugs were formulated and identified using computational power by the drug discovery society.

Prospects for Discovering the Secondary Metabolites of Cordyceps Sensu Lato by the Integrated Strategy

2020 ◽  
Vol 17 (2) ◽  
pp. 97-120
Author(s):  
Shabana Bibi ◽  
Yuan-Bing Wang ◽  
De-Xiang Tang ◽  
Mohammad Amjad Kamal ◽  
Hong Yu
Keyword(s):  
Drug Design ◽  
Biological Activities ◽  
Design Methods ◽  
Chinese Herbs ◽  
Active Metabolites ◽  
Computer Aided Drug Design ◽  
Design Concepts ◽  
Conventional Drug ◽  
Computer Aided ◽  
Design Techniques

: Some species of Cordyceps sensu lato are famous Chinese herbs with significant biological activities, often used as edible food and traditional medicine in China. Cordyceps represents the largest entomopathogenic group of fungi, including 40 genera and 1339 species in three families and incertae sedis of Hypocreales. Objective: Most of the Cordyceps-derivatives have been approved clinically for the treatment of various diseases such as diabetes, cancers, inflammation, cardiovascular, renal and neurological disorders and are used worldwide as supplements and herbal drugs, but there is still need for highly efficient Cordyceps-derived drugs for fatal diseases with approval of the U.S. Food and Drug Administration. Methods: Computer-aided drug design concepts could improve the discovery of putative Cordyceps- derived medicine within less time and low budget. The integration of computer-aided drug design methods with experimental validation has contributed to the successful discovery of novel drugs. Results: This review focused on modern taxonomy, active metabolites, and modern drug design techniques that could accelerate conventional drug design and discovery of Cordyceps s. l. Successful application of computer-aided drug design methods in Cordyceps research has been discussed. Conclusion: It has been concluded that computer-aided drug design techniques could influence the multiple target-focused drug design, because each metabolite of Cordyceps has shown significant activities for the various diseases with very few or no side effects.

Sign in / Sign up

Export Citation Format

Share Document