Artificial intelligence to deep learning: machine intelligence approach for drug discovery
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …
companies and chemical scientists. However, low efficacy, off-target delivery, time …
Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …
Anti-SARS-CoV-2 activities of tanshinone IIA, carnosic acid, rosmarinic acid, salvianolic acid, baicalein, and glycyrrhetinic acid between computational and in vitro …
Six compounds namely, tanshinone IIA (1), carnosic acid (2), rosmarinic acid (3), salvianolic
acid B (4), baicalein (5), and glycyrrhetinic acid (6) were screened for their anti-SARS-CoV-2 …
acid B (4), baicalein (5), and glycyrrhetinic acid (6) were screened for their anti-SARS-CoV-2 …
Structure-Based Discovery of Novel Nonpeptide Inhibitors Targeting SARS-CoV-2 Mpro
J Yang, X Lin, N Xing, Z Zhang, H Zhang… - Journal of Chemical …, 2021 - ACS Publications
The continual spread of novel coronavirus disease 2019 (COVID-19) is caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), posing a severe threat to the …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2), posing a severe threat to the …
Benchmarking the ability of common docking programs to correctly reproduce and score binding modes in SARS-CoV-2 protease Mpro
The coronavirus SARS-CoV-2 main protease, Mpro, is conserved among coronaviruses with
no human homolog and has therefore attracted significant attention as an enzyme drug …
no human homolog and has therefore attracted significant attention as an enzyme drug …
Progress on SARS-CoV-2 3CLpro inhibitors: inspiration from SARS-CoV 3CLpro peptidomimetics and small-molecule anti-inflammatory compounds
J Zhu, H Zhang, Q Lin, J Lyu, L Lu, H Chen… - Drug design …, 2023 - Taylor & Francis
Abstract Coronavirus disease 2019 (COVID-19) caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2) currently poses a threat to human health. 3C-like …
syndrome coronavirus 2 (SARS-CoV-2) currently poses a threat to human health. 3C-like …
The inhibitory effects of plant derivate polyphenols on the main protease of SARS coronavirus 2 and their structure–activity relationship
TTH Nguyen, JH Jung, MK Kim, S Lim, JM Choi… - Molecules, 2021 - mdpi.com
The main protease (Mpro) is a major protease having an important role in viral replication of
the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the novel coronavirus …
the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the novel coronavirus …
Mechanisms of lung injury induced by SARS-CoV-2 infection
The lung is the major target organ of SARS-CoV-2 infection, which causes COVID-19. Here,
we outline the multistep mechanisms of lung epithelial and endothelial injury induced by …
we outline the multistep mechanisms of lung epithelial and endothelial injury induced by …
Chemistry and pharmacological actions of delphinidin, a dietary purple pigment in anthocyanidin and anthocyanin forms
Anthocyanins are naturally occurring water-soluble flavonoids abundantly present in fruits
and vegetables. They are polymethoxyderivatives of 2-phenyl-benzopyrylium or flavylium …
and vegetables. They are polymethoxyderivatives of 2-phenyl-benzopyrylium or flavylium …
Lead discovery of SARS-CoV-2 main protease inhibitors through covalent docking-based virtual screening
G Amendola, R Ettari, S Previti, C Di Chio… - Journal of Chemical …, 2021 - ACS Publications
During almost all 2020, coronavirus disease 2019 (COVID-19) pandemic has constituted the
major risk for the worldwide health and economy, propelling unprecedented efforts to …
major risk for the worldwide health and economy, propelling unprecedented efforts to …