Cancer Biology Aspects of Computational Methods & Applications in Drug Discovery

被引:5
|
作者
Chien, Shang-Tao [1 ]
Kumar, Ajay [2 ,3 ]
Pandey, Shifa [4 ]
Yen, Chung-Kun [3 ]
Wang, Shao-Yu [3 ]
Wen, Zhi-Hong [5 ]
Kaushik, Aman C. [6 ]
Shiue, Yow-Ling [2 ]
Pan, Cheng-Tang [3 ,7 ]
机构
[1] Kaohsiung Armed Forces Gen Hosp, Dept Pathol, Kaohsiung, Taiwan
[2] Natl Sun Yat Sen Univ, Inst Biomed Sci, Kaohsiung 804, Taiwan
[3] Natl Sun Yat Sen Univ, Dept Mech & Electromech Engn, Kaohsiung 804, Taiwan
[4] Natl Cheng Kung Univ, Dept Mat Sci & Engn, Tainan 701, Taiwan
[5] Natl Sun Yat Sen Univ, Dept Marine Biotechnol & Resources, Kaohsiung, Taiwan
[6] Shanghai Jia Tong Univ, Sch Life Sci & Biotechnol, State Key Lab Microbial Metab, Shanghai 200240, Peoples R China
[7] Natl Sun Yat Sen Univ, Inst Med Sci & Technol, Kaohsiung 804, Taiwan
关键词
CADD; molecular dynamic simulation; docking; cancer; drug discovery; molecular modeling; pharmacokinetics; pharmacodynamics; PROTEIN-LIGAND DOCKING; DESIGN; IDENTIFICATION; PHARMACOPHORE; OPTIMIZATION; INHIBITORS; MODELS; QSAR;
D O I
10.2174/1381612824666181112104921
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
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.
引用
收藏
页码:3758 / 3766
页数:9
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