Computational protein design for COVID-19 research and emerging therapeutics

P Kalita, T Tripathi, AK Padhi - ACS Central Science, 2023 - ACS Publications
As the world struggles with the ongoing COVID-19 pandemic, unprecedented obstacles
have continuously been traversed as new SARS-CoV-2 variants continually emerge …

Current artificial intelligence (AI) techniques, challenges, and approaches in controlling and fighting COVID-19: a review

U Albalawi, M Mustafa - … Journal of Environmental Research and Public …, 2022 - mdpi.com
SARS-CoV-2 (COVID-19) has been one of the worst global health crises in the 21st century.
The currently available rollout vaccines are not 100% effective for COVID-19 due to the …

[PDF][PDF] Breaking the chains: advancements in antiviral strategies to combat Nipah virus infections

FL Orosco - Int. J. One Health, 2023 - onehealthjournal.org
Nipah virus (NiV) is a highly pathogenic zoonotic virus that has caused several outbreaks
with high fatality rates in humans and animals, thus, requiring a “One Health” approach. No …

Quantum biochemical analysis of the binding interactions between a potential inhibitory drug and the Ebola viral glycoprotein

JM da Rocha, DMO Campos, SC Esmaile… - Journal of …, 2024 - Taylor & Francis
Ebola virus disease (EVD) causes outbreaks and epidemics in West Africa that persist until
today. The envelope glycoprotein of Ebola virus (GP) consists of two subunits, GP1 and …

In Silico Studies on Zinc Oxide Based Nanostructured Oil Carriers with Seed Extracts of Nigella sativa and Pimpinella anisum as Potential Inhibitors of 3CL Protease …

AA Hendi, P Virk, MA Awad, M Elobeid, KMO Ortashi… - Molecules, 2022 - mdpi.com
Coming into the second year of the pandemic, the acute respiratory syndrome coronavirus 2
(SARS-CoV-2) and its variants continue to be a serious health hazard globally. A surge in …

Toward Personalized Salbutamol Therapy: Validating Virtual Patient-Derived Population Pharmacokinetic Model with Real-World Data

L Marques, N Vale - Pharmaceutics, 2024 - mdpi.com
Interindividual variability, influenced by patient-specific factors including age, weight,
gender, race, and genetics, among others, contributes to variations in therapeutic response …

Predicting host species susceptibility to influenza viruses and coronaviruses using genome data and machine learning: a sco** review

F Alberts, O Berke, L Rocha, S Keay… - Frontiers in Veterinary …, 2024 - frontiersin.org
Introduction Predicting which species are susceptible to viruses (ie, host range) is important
for understanding and develo** effective strategies to control viral outbreaks in both …

[HTML][HTML] Berberine modulates cardiovascular diseases as a multitarget-mediated alkaloid with insights into its downstream signals using in silico prospective …

S Almowallad, R Al-Massabi - Saudi Journal of Biological Sciences, 2024 - Elsevier
Atherosclerosis is potentially correlated with several cardiac disorders that are greatly
associated with cellular oxidative stress generation, inflammation, endothelial cells …

Bioinformatics and molecular biology tools for diagnosis, prevention, treatment and prognosis of COVID-19

DD Meira, ASS Zetum, MC Casotti, DRC da Silva… - Heliyon, 2024 - cell.com
Since December 2019, a new form of Severe Acute Respiratory Syndrome (SARS) has
emerged worldwide, caused by SARS coronavirus 2 (SARS-CoV-2). This disease was …

Structure‐Activity Relationship of Methyl 4‐Aminobenzoate Derivatives as Being Drug Candidate Targeting Glutathione Related Enzymes: in Vitro and in Silico …

IN Korkmaz, U Güller, R Kalın, H Özdemir… - Chemistry & …, 2023 - Wiley Online Library
A thiol compound, glutathione, is essential for healthy cell defence against xenobiotics and
oxidative stress. Glutathione reductase (GR) and glutathione S‐transferase (GST) are two …