Decision making in structure-based drug discovery: visual inspection of docking results
Molecular docking is a computational method widely used in drug discovery. Due to the
inherent inaccuracies of molecular docking, visual inspection of binding modes is a crucial …
inherent inaccuracies of molecular docking, visual inspection of binding modes is a crucial …
Artificial intelligence for COVID-19 drug discovery and vaccine development
SARS-COV-2 has roused the scientific community with a call to action to combat the growing
pandemic. At the time of this writing, there are as yet no novel antiviral agents or approved …
pandemic. At the time of this writing, there are as yet no novel antiviral agents or approved …
Peptide-like and small-molecule inhibitors against Covid-19
Coronavirus disease strain (SARS-CoV-2) was discovered in 2019, and it is spreading very
fast around the world causing the disease Covid-19. Currently, more than 1.6 million …
fast around the world causing the disease Covid-19. Currently, more than 1.6 million …
COVID-19 and SARS-CoV-2. Modeling the present, looking at the future
E Estrada - Physics reports, 2020 - Elsevier
Abstract Since December 2019 the Severe Acute Respiratory Syndrome Coronavirus 2
(SARS-CoV-2) has produced an outbreak of pulmonary disease which has soon become a …
(SARS-CoV-2) has produced an outbreak of pulmonary disease which has soon become a …
Protease targeted COVID-19 drug discovery and its challenges: Insight into viral main protease (Mpro) and papain-like protease (PLpro) inhibitors
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) brutally perils physical and
mental health worldwide. Unavailability of effective anti-viral drug rendering global threat of …
mental health worldwide. Unavailability of effective anti-viral drug rendering global threat of …
A review on drug repurposing applicable to COVID-19
S Dotolo, A Marabotti, A Facchiano… - Briefings in …, 2021 - academic.oup.com
Drug repurposing involves the identification of new applications for existing drugs at a lower
cost and in a shorter time. There are different computational drug-repurposing strategies and …
cost and in a shorter time. There are different computational drug-repurposing strategies and …
COVID-19: Advances in diagnostic tools, treatment strategies, and vaccine development
An unprecedented worldwide spread of the SARS-CoV-2 has imposed severe challenges
on healthcare facilities and medical infrastructure. The global research community faces …
on healthcare facilities and medical infrastructure. The global research community faces …
Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach
The pandemic caused by novel coronavirus disease 2019 (COVID-19) infecting millions of
populations worldwide and counting, has demanded quick and potential therapeutic …
populations worldwide and counting, has demanded quick and potential therapeutic …
[HTML][HTML] Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19 …
O Noureddine, N Issaoui, M Medimagh… - Journal of King Saud …, 2021 - Elsevier
Abstract Structure− activity relationships for hydroxychloroquine compound and its
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …
derivatives resulted in a potent antiviral activity. Where hydroxychloroquine derivatives …
Structural and evolutionary analysis indicate that the SARS-CoV-2 Mpro is a challenging target for small-molecule inhibitor design
M Bzówka, K Mitusińska, A Raczyńska… - International Journal of …, 2020 - mdpi.com
The novel coronavirus whose outbreak took place in December 2019 continues to spread at
a rapid rate worldwide. In the absence of an effective vaccine, inhibitor repurposing or de …
a rapid rate worldwide. In the absence of an effective vaccine, inhibitor repurposing or de …