Abstract
Fragment-based drug discovery (FBDD) has caused a revolution in the process of drug discovery and design, with many FBDD leads being developed into clinical trials or approved in the past few years. Compared with traditional high-throughput screening, it displays obvious advantages such as efficiently covering chemical space, achieving higher hit rates, and so forth. In this review, we focus on the most recent developments of FBDD for improving drug discovery, illustrating the process and the importance of FBDD. In particular, the computational strategies applied in the process of FBDD and molecular-docking programs are highlighted elaborately. In most cases, docking is used for predicting the ligand–receptor interaction modes and hit identification by structurebased virtual screening. The successful cases of typical significance and the hits identified most recently are discussed.
Keywords: Drug candidate, drug design, drug discovery, FBDD, molecular docking, virtual screening.
Current Pharmaceutical Biotechnology
Title:Fragment-Based Drug Discovery and Molecular Docking in Drug Design
Volume: 16 Issue: 1
Author(s): Tao Wang, Mian-Bin Wu, Zheng-Jie Chen, Hua Chen, Jian-Ping Lin and Li-Rong Yang
Affiliation:
Keywords: Drug candidate, drug design, drug discovery, FBDD, molecular docking, virtual screening.
Abstract: Fragment-based drug discovery (FBDD) has caused a revolution in the process of drug discovery and design, with many FBDD leads being developed into clinical trials or approved in the past few years. Compared with traditional high-throughput screening, it displays obvious advantages such as efficiently covering chemical space, achieving higher hit rates, and so forth. In this review, we focus on the most recent developments of FBDD for improving drug discovery, illustrating the process and the importance of FBDD. In particular, the computational strategies applied in the process of FBDD and molecular-docking programs are highlighted elaborately. In most cases, docking is used for predicting the ligand–receptor interaction modes and hit identification by structurebased virtual screening. The successful cases of typical significance and the hits identified most recently are discussed.
Export Options
About this article
Cite this article as:
Wang Tao, Wu Mian-Bin, Chen Zheng-Jie, Chen Hua, Lin Jian-Ping and Yang Li-Rong, Fragment-Based Drug Discovery and Molecular Docking in Drug Design, Current Pharmaceutical Biotechnology 2015; 16 (1) . https://dx.doi.org/10.2174/1389201015666141122204532
DOI https://dx.doi.org/10.2174/1389201015666141122204532 |
Print ISSN 1389-2010 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4316 |
- Author Guidelines
- Graphical Abstracts
- Fabricating and Stating False Information
- Research Misconduct
- Post Publication Discussions and Corrections
- Publishing Ethics and Rectitude
- Increase Visibility of Your Article
- Archiving Policies
- Peer Review Workflow
- Order Your Article Before Print
- Promote Your Article
- Manuscript Transfer Facility
- Editorial Policies
- Allegations from Whistleblowers
Related Articles
-
Systemic Delivery of Nanoformulations of Anti-cancer Drugs with Therapeutic Potency in Animal Models of Cancer
Current Cancer Therapy Reviews Cell Cycle and Energy Metabolism in Tumor Cells: Strategies for Drug Therapy
Recent Patents on Anti-Cancer Drug Discovery Inhibition of Autophagy by Targeting ATG4B: Promises and Challenges of An Emerging Anti-cancer Strategy
Clinical Cancer Drugs Statins and Cancer
Anti-Cancer Agents in Medicinal Chemistry Delivery of Intracellular-Acting Biologics in Pro-Apoptotic Therapies
Current Pharmaceutical Design Genetic Idiotypic and Tumor Cell-Based Vaccine Strategies for Indolent Non Hodgkins Lymphoma
Current Gene Therapy Coexistence of Type-1 Diabetes Mellitus and Papillary Thyroid Carcinoma
Current Diabetes Reviews Natural Products Targeting Autophagy via the PI3K/Akt/mTOR Pathway as Anticancer Agents
Anti-Cancer Agents in Medicinal Chemistry 1,3,4-Oxadiazole Derivatives as Potential Biological Agents
Mini-Reviews in Medicinal Chemistry Effects of Iron Chelation in Osteosarcoma
Current Cancer Drug Targets Quinazolines as Apoptosis Inducers and Inhibitors: A Review of Patent Literature
Recent Patents on Anti-Cancer Drug Discovery RNA Binding Protein/RNA Element Interactions and the Control of Translation
Current Protein & Peptide Science Hematopoietic Growth Factors Support in the Elderly Cancer Patients Treated with Antiblastic Chemotherapy
Anti-Cancer Agents in Medicinal Chemistry Vascular Endothelial Growth Factor as an Anti-Angiogenic Target for Cancer Therapy
Current Drug Targets Histone Deacetylase Inhibitors: Potent Anti-Leukemic Agents
Current Medicinal Chemistry Evolving Drug Delivery Strategies to Overcome the Blood Brain Barrier
Current Pharmaceutical Design Endogenous Factors in the Recovery of Reproductive Function After Testicular Injury and Cancer
Current Molecular Medicine Immune Receptors, Cadherins and their Interactions
Current Immunology Reviews (Discontinued) Recombinant Human Polyclonal Antibodies: A New Class of Therapeutic Antibodies Against Viral Infections
Current Pharmaceutical Design Calcium Antagonists: A Ready Prescription for Treating Infectious Diseases?
Current Topics in Medicinal Chemistry