virtual screening, drug discovery, molecular docking, drug-likeness, ADME


Computer-aided drug design has now become a compulsory tool in the drug discovery and development process which uses computational approaches to discover potential compounds with expected biological activities. Firstly, this review provides a comprehensive introduction of the virtual screening technique, knowledge and advances in both SBVS and LBVS strategies also presented. Secondly, recent database of compounds provided worldwide and drug-like parameters which are helpful in supporting the VS process will be discussed. These information will provides a good platform to estimate the advance of applying these techniques in the new drug-lead identification and optimization.


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Author Biographies

Quan Minh PHAM, Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology


Long Quoc PHAM, Institute of Natural Products Chemistry, Vietnam Academy of Science and Technology



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