TY - JOUR
KW - Computational drug discovery
KW - Computer-aided drug design
KW - Target identification
KW - Toxicity prediction
KW - Virtual screening
AU - Bilal Shaker
AU - Sajjad Ahmad
AU - Jingyu Lee
AU - Chanjin Jung
AU - Dokyun Na
AB - In the past, conventional drug discovery strategies have been successfully employed to develop new drugs, but the process from lead identification to clinical trials takes more than 12 years and costs approximately $1.8 billion USD on average. Recently, in silico approaches have been attracting considerable interest because of their potential to accelerate drug discovery in terms of time, labor, and costs. Many new drug compounds have been successfully developed using computational methods. In this review, we briefly introduce computational drug discovery strategies and outline up-to-date tools to perform the strategies as well as available knowledge bases for those who develop their own computational models. Finally, we introduce successful examples of anti-bacterial, anti-viral, and anti-cancer drug discoveries that were made using computational methods.
BT - Computers in Biology and Medicine
DA - 2021-10-01
DO - 10.1016/j.compbiomed.2021.104851
N2 - In the past, conventional drug discovery strategies have been successfully employed to develop new drugs, but the process from lead identification to clinical trials takes more than 12 years and costs approximately $1.8 billion USD on average. Recently, in silico approaches have been attracting considerable interest because of their potential to accelerate drug discovery in terms of time, labor, and costs. Many new drug compounds have been successfully developed using computational methods. In this review, we briefly introduce computational drug discovery strategies and outline up-to-date tools to perform the strategies as well as available knowledge bases for those who develop their own computational models. Finally, we introduce successful examples of anti-bacterial, anti-viral, and anti-cancer drug discoveries that were made using computational methods.
PY - 2021
EP - 104851
T2 - Computers in Biology and Medicine
TI - In silico methods and tools for drug discovery
UR - https://www.sciencedirect.com/science/article/pii/S0010482521006454
VL - 137
Y2 - 2024-02-09
SN - 0010-4825
ER -