원문정보
피인용수 : 0건 (자료제공 : 네이버학술정보)
초록
영어
Protein Arginine Methyltransferase 5 (PRMT5), a significant member of the PRMT family, is a promising anticancer target. In this study, novel small compounds that act against the PRMT5 target are found by combining virtual screening with ChEMBL database medicines and Density Functional Theory. The ChEMBL database compounds were screened to retrieve the hit molecules, which further subjected for DFT analysis. Finally we have evaluated that ChEMBL- approved drugs such as Lifitegrast, Abiraterone acetate and Solifenacin may be potential inhibitors for PRMT5.
목차
Abstract
1. Introduction
2. Materials and methods
2.1 Protein Structure Preparation
2.2 Ligand Database Preparation
2.3 Molecular Docking
2.4 Density Functional Theory (DFT)
3. Results and discussion
3.1 Binding Site Characterization
3.2 Molecular Docking
3.3 Conceptual DFT
4. Conclusion
Reference
1. Introduction
2. Materials and methods
2.1 Protein Structure Preparation
2.2 Ligand Database Preparation
2.3 Molecular Docking
2.4 Density Functional Theory (DFT)
3. Results and discussion
3.1 Binding Site Characterization
3.2 Molecular Docking
3.3 Conceptual DFT
4. Conclusion
Reference
저자정보
참고문헌
자료제공 : 네이버학술정보