Computational approaches streamlining drug discovery
AV Sadybekov, V Katritch - Nature, 2023 - nature.com
Computer-aided drug discovery has been around for decades, although the past few years
have seen a tectonic shift towards embracing computational technologies in both academia …
have seen a tectonic shift towards embracing computational technologies in both academia …
Therapeutic strategies for COVID-19: progress and lessons learned
G Li, R Hilgenfeld, R Whitley, E De Clercq - Nature Reviews Drug …, 2023 - nature.com
Abstract The coronavirus disease 2019 (COVID-19) pandemic has stimulated tremendous
efforts to develop therapeutic strategies that target severe acute respiratory syndrome …
efforts to develop therapeutic strategies that target severe acute respiratory syndrome …
Transmissible SARS-CoV-2 variants with resistance to clinical protease inhibitors
Vaccines and drugs have helped reduce disease severity and blunt the spread of severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2). However, ongoing virus …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2). However, ongoing virus …
The SARS‐CoV‐2 main protease (Mpro): Structure, function, and emerging therapies for COVID‐19
Q Hu, Y Xiong, GH Zhu, YN Zhang, YW Zhang… - MedComm, 2022 - Wiley Online Library
The main proteases (Mpro), also termed 3‐chymotrypsin‐like proteases (3CLpro), are a
class of highly conserved cysteine hydrolases in β‐coronaviruses. Increasing evidence has …
class of highly conserved cysteine hydrolases in β‐coronaviruses. Increasing evidence has …
Accelerating antiviral drug discovery: lessons from COVID-19
During the coronavirus disease 2019 (COVID-19) pandemic, a wave of rapid and
collaborative drug discovery efforts took place in academia and industry, culminating in …
collaborative drug discovery efforts took place in academia and industry, culminating in …
Bench-to-bedside: Innovation of small molecule anti-SARS-CoV-2 drugs in China
L Yang, Z Wang - European journal of medicinal chemistry, 2023 - Elsevier
The ongoing COVID-19 pandemic has resulted in millions of deaths globally, highlighting
the need to develop potent prophylactic and therapeutic strategies against SARS-CoV-2 …
the need to develop potent prophylactic and therapeutic strategies against SARS-CoV-2 …
Structure and function of SARS-CoV and SARS-CoV-2 main proteases and their inhibition: A comprehensive review
Severe acute respiratory syndrome-associated coronavirus (SARS-CoV) identified in 2003
infected∼ 8000 people in 26 countries with 800 deaths, which was soon contained and …
infected∼ 8000 people in 26 countries with 800 deaths, which was soon contained and …
X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation
Abstract Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2), the pathogen
that causes COVID-19, produces polyproteins 1a and 1ab that contain, respectively, 11 or …
that causes COVID-19, produces polyproteins 1a and 1ab that contain, respectively, 11 or …
A practical guide to machine-learning scoring for structure-based virtual screening
Abstract Structure-based virtual screening (SBVS) via docking has been used to discover
active molecules for a range of therapeutic targets. Chemical and protein data sets that …
active molecules for a range of therapeutic targets. Chemical and protein data sets that …
Novel investigational anti-SARS-CoV-2 agent ensitrelvir “S-217622”: a very promising potential universal broad-spectrum antiviral at the therapeutic frontline of …
Lately, nitrogenous heterocyclic antivirals, such as nucleoside-like compounds, oxadiazoles,
thiadiazoles, triazoles, quinolines, and isoquinolines, topped the therapeutic scene as …
thiadiazoles, triazoles, quinolines, and isoquinolines, topped the therapeutic scene as …