In Silico Design of Novel Mutant Anti-MUC1 Aptamers for Targeted Cancer Therapy

2019 ◽  
Vol 60 (2) ◽  
pp. 786-793 ◽  
Author(s):  
Brianda L. Santini ◽  
Matías Zúñiga-Bustos ◽  
Abraham Vidal-Limon ◽  
Joel B. Alderete ◽  
Sergio A. Águila ◽  
...  
Keyword(s):  
Cancer Therapy ◽  
In Silico ◽  
Targeted Cancer Therapy ◽  
In Silico Design

Virtual Screening of Novel Hybrid Non-Steroidal Anti-Inflammatory Drugs (NSAIDs): Exploring Multiple Targeted Cancer Therapy by an In Silico Approach

2020 ◽  
Vol 16 (1) ◽  
pp. 70-77
Author(s):  
Ashish P. Shah ◽  
Chhagan N. Patel
Keyword(s):  
Cancer Therapy ◽  
Virtual Screening ◽  
Binding Affinity ◽  
Anticancer Agents ◽  
In Silico ◽  
Software Tool ◽  
Docking Studies ◽  
Targeted Cancer Therapy ◽  
Bioactivity Prediction ◽  
Glide Docking

Background: Dual-targeting/Multi-targeting of oncoproteins by a single drug molecule represents an efficient, logical and alternative approach to drug combinations. In silico methods are useful tool for the search and design of selective multi-target agents. Objective: The objective of the present study was to design new hybrid compounds by linking the main structural unit of the NSAIDs with the benzothiazole and thiadiazole ring and to discover new hybrid NSAIDs as multi targeted anticancer agents through in silico approach. Method: Structure-based virtual screening was performed by applying ADMET filtration and Glide docking using Virtual screening Workflow. The docking studies were performed on three different types of receptors TNF-α, COX-II and protein kinase. Bioactivity prediction of screened compounds were done using Molinspiration online software tool. Results: Out of 54 designed compounds eighteen were screened on the basis of binding affinity on various receptors and ADMET filtration. Bioactivity prediction reveals that screened compounds may act through kinase inhibition or enzyme inhibition. Compounds 2sa, 5sa, 6sa and 7sa shows higher binding affinity with all three receptors. Conclusion: The study concluded that compound 2sa, 5sa, 6sa, and 7sa could be further explored for multiple targeted cancer therapy.

scholarly journals In Silico Design of E3 Ubiquitin-Protein Ligase NEDD4-1 Inhibitors: An Alternative Approach for Targeting the MAPK Pathway in Cancer Therapy

Proceedings ◽  
2019 ◽  
Vol 22 (1) ◽  
pp. 10
Author(s):  
Pirolli ◽  
Righino ◽  
Tropea ◽  
Gurrieri ◽  
Sangiorgi ◽  
...  
Keyword(s):  
Protein Kinase ◽  
Cancer Therapy ◽  
In Silico ◽  
Mapk Pathway ◽  
Mitogen Activated Protein Kinase ◽  
In Silico Design ◽  
Ubiquitin Protein Ligase ◽  
Alternative Approach ◽  
Mitogen Activated Protein ◽  
Kinase Pathway

Among all the several targets in common use in the antitumor therapies, the pharmacologicinhibition of the MAPK (Mitogen Activated Protein Kinase) pathway represents an efficienttherapeutic approach [1]. [...]

Chemoinformatics in Multi-target Drug Discovery for Anti-cancer Therapy: In Silico Design of Potent and Versatile Anti-brain Tumor Agents

2012 ◽  
Vol 12 (6) ◽  
pp. 678-685 ◽  
Author(s):  
Alejandro Speck-Planche ◽  
Valeria V. Kleandrova ◽  
Feng Luan ◽  
M. Natalia D. S. Cordeiro
Keyword(s):  
Brain Tumor ◽  
Drug Discovery ◽  
Cancer Therapy ◽  
In Silico ◽  
In Silico Design ◽  
Target Drug ◽  
Anti Cancer

Targeted Cancer Therapy; Nanotechnology Approaches for Overcoming Drug Resistance

2015 ◽  
Vol 22 (11) ◽  
pp. 1335-1347 ◽  
Author(s):  
Yan Gao ◽  
Jacson Shen ◽  
Lara Milane ◽  
Francis Hornicek ◽  
Mansoor Amiji ◽  
...  
Keyword(s):  
Drug Resistance ◽  
Cancer Therapy ◽  
Targeted Cancer Therapy

Developing FGFR4 Inhibitors As Potential Anti-Cancer Agents Via In Silico Design, Supported by In Vitro and Cell-Based Testing

2013 ◽  
Vol 999 (999) ◽  
pp. 1-15
Author(s):  
H.K. Ho ◽  
G. Nemeth ◽  
Y.R. Ng ◽  
E. Pang ◽  
C. Szantai-Kis ◽  
...  
Keyword(s):  
In Silico ◽  
In Silico Design ◽  
Anti Cancer

Biological Carrier Molecules of Radiopharmaceuticals for Molecular Cancer Imaging and Targeted Cancer Therapy

2014 ◽  
Vol 20 (32) ◽  
pp. 5218-5244 ◽  
Author(s):  
A. Aerts ◽  
N.R.E.N. Impens ◽  
M. Gijs ◽  
M. D'Huyvetter ◽  
H. Vanmarcke ◽  
...  
Keyword(s):  
Cancer Therapy ◽  
Cancer Imaging ◽  
Targeted Cancer Therapy
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