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Current Pharmaceutical Design


ISSN (Print): 1381-6128
ISSN (Online): 1873-4286

Review Article

Cancer Biology Aspects of Computational Methods & Applications in Drug Discovery

Author(s): Shang-Tao Chien, Ajay Kumar, Shifa Pandey, Chung-Kun Yen, Shao-Yu Wang, Zhi-Hong Wen, Aman C. Kaushik, Yow-Ling Shiue* and Cheng-Tang Pan*

Volume 24 , Issue 32 , 2018

Page: [3758 - 3766] Pages: 9

DOI: 10.2174/1381612824666181112104921

Price: $65


Background: Cancer is one of the most debilitating diseases worldwide; even though advances in molecular and cellular biology have contributed to the decline of mortality associated with cancer, the procedure of drug discovery and development of cancer are time-consuming and expensive. However, with computer-aided drug discovery (CADD) techniques, pharmaceutical firms can save production costs and reduce the time of introducing effective anticancer drugs for clinical trials. CADD strategies like structure-based drug designing, ligandbased drug designing, and combined structure-based and ligand-based approaches also have the advantage of identifying target sites and discovering active compounds with high affinity for the target sites. In this article, research carried out on cancer biology aspect of the computational approaches in drug discovery technology have been reviewed.

Objective: The main objective of the study is to identify the potential causes and the development of the cancer. In addition to this, its recovery has been discussed briefly.

Conclusion: Our findings indicate that only a few studies have been carried out regarding this area. Hence, it is recommended that further researches should be conducted on the computational methods for identifying candidate drugs for breast, pancreatic, colon, prostate, and other types of cancer.

Keywords: CADD, molecular dynamic simulation, docking, cancer, drug discovery, molecular modeling, pharmacokinetics, pharmacodynamics.

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