Cancer Biology Aspects of Computational Methods & Applications in Drug Discovery

Title:Cancer Biology Aspects of Computational Methods & Applications in Drug Discovery

Volume: 24 Issue: 32

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

Affiliation:

• Institute of Biomedical Sciences, National Sun Yat-Sen University, Kaohsiung City 804,Taiwan

• Department of Mechanical and Electro-Mechanical Engineering, National Sun Yat-Sen University, Kaohsiung City 804,Taiwan

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

Abstract: 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.

Cite this article as:

Chien Shang-Tao , Kumar Ajay , Pandey Shifa , Yen Chung-Kun , Wang Shao-Yu , Wen Zhi-Hong , Kaushik C. Aman , Shiue Yow-Ling *, Pan Cheng-Tang *, Cancer Biology Aspects of Computational Methods & Applications in Drug Discovery, Current Pharmaceutical Design 2018; 24 (32) . https://dx.doi.org/10.2174/1381612824666181112104921