Repurposing Low-Molecular-Weight Drugs against the Main Protease of Severe Acute Respiratory Syndrome Coronavirus 2
Jia Gao, Liang Zhang, Xiaodan Liu, Fudong Li, Rongsheng Ma, Zhongliang Zhu, Jiahai Zhang, Jihui Wu, Yunyu Shi, Yueyin Pan, Yushu Ge, Ke Ruan
Abstract
. Our study demonstrates that the fragment-based approach is a feasible strategy for identifying low-molecular-weight drugs against the SARS-CoV-2 and other potential targets lacking specific drugs.
Topics & Concepts
Drug repositioningCoronavirusPharmacologyPharmacophoreProteaseVirtual screeningRepurposingChemistryMedicineCoronavirus disease 2019 (COVID-19)DrugBiologyEnzymeBiochemistryInfectious disease (medical specialty)DiseaseInternal medicineEcologyComputational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Researchvaccines and immunoinformatics approaches