[HTML][HTML] SARS-CoV-2 proteases Mpro and PLpro: Design of inhibitors with predicted high potency and low mammalian toxicity using artificial neural networks, ligand …
RS Tumskiy, AV Tumskaia, IN Klochkova… - Computers in Biology …, 2023 - Elsevier
The main (Mpro) and papain-like (PLpro) proteases are highly conserved viral proteins
essential for replication of the COVID-19 virus, SARS-COV-2. Therefore, a logical plan for …
essential for replication of the COVID-19 virus, SARS-COV-2. Therefore, a logical plan for …
A Computational Study on Selected Alkaloids as SARS‐CoV‐2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics …
Despite treatments and vaccinations, it remains difficult to develop naturally occurring
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …
Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CLpro enzyme for COVID-19 therapy: a computer-aided …
Abstract Small molecules such as 9, 10-dihydrophenanthrene derivatives have remarkable
activity toward inhibition of SARS-CoV-2 3CLpro and COVID-19 proliferation, which show a …
activity toward inhibition of SARS-CoV-2 3CLpro and COVID-19 proliferation, which show a …
An integrative computational approach for the identification of dual inhibitors of isocitrate dehydrogenase 1 and 2 from phytocompounds of Phyllantus amarus
Genetic alterations of the genes encoding the isocitrate dehydrogenase (IDH) enzymes
have been identified in about 20% of acute myeloid leukemia (AML) cases as well as many …
have been identified in about 20% of acute myeloid leukemia (AML) cases as well as many …
Exploration of phenolic acid derivatives as inhibitors of SARS-CoV-2 main protease and receptor binding domain: potential candidates for anti-SARS-CoV-2 therapy
Severe acute respiratory Syndrome-Coronavirus-2 (SARS-CoV-2) is the etiological virus of
Coronavirus Disease 2019 (COVID-19) which has been a public health concern due to its …
Coronavirus Disease 2019 (COVID-19) which has been a public health concern due to its …
Impact of AI on drug delivery and pharmacokinetics: The present scenario and future prospects
Artificial intelligence (AI) is a branch of computer science that is committed to improving and
simplifying our day-to-day lives as well as bringing about revolutionary breakthroughs in a …
simplifying our day-to-day lives as well as bringing about revolutionary breakthroughs in a …
Molecular docking to investigate the inhibitory activity and the role of nitric oxide in anticonvulsant effects of vitamin D on pentylenetetrazole‑induced epileptic seizures …
Despite the great breakthroughs in the field of epilepsy studies, the present drugs are
ineffective in one-third of the patients, as well as without providing a definite treatment. There …
ineffective in one-third of the patients, as well as without providing a definite treatment. There …
[图书][B] A Handbook of Artificial Intelligence in Drug Delivery
AK Philip, A Shahiwala, M Rashid, M Faiyazuddin - 2023 - books.google.com
A Handbook of Artificial Intelligence in Drug Delivery explores the use of Artificial
Intelligence (AI) in drug delivery strategies. The book covers pharmaceutical AI and drug …
Intelligence (AI) in drug delivery strategies. The book covers pharmaceutical AI and drug …