Molnupiravir: A versatile prodrug against SARS-CoV-2 variants
The nucleoside analog β-DN 4-hydroxycytidine is the active metabolite of the prodrug
molnupiravir and is accepted as an efficient drug against COVID-19. Molnupiravir targets the …
molnupiravir and is accepted as an efficient drug against COVID-19. Molnupiravir targets the …
Molecular fragmentation as a crucial step in the AI-based drug development pathway
S Jinsong, J Qifeng, C Xing, Y Hao… - Communications Chemistry, 2024 - nature.com
The AI-based small molecule drug discovery has become a significant trend at the
intersection of computer science and life sciences. In the pursuit of novel compounds …
intersection of computer science and life sciences. In the pursuit of novel compounds …
Integrated fragment-based drug design and virtual screening techniques for exploring the antidiabetic potential of thiazolidine-2, 4-diones: Design, synthesis and in …
Diabetes mellitus is a metabolic disorder characterized by elevated blood sugar levels and
related complications. This study focuses on harnessing and integrating fragment-based …
related complications. This study focuses on harnessing and integrating fragment-based …
Discovery of novel potent drugs for influenza by inhibiting the vital function of neuraminidase via fragment-based drug design (FBDD) and molecular dynamics …
The current work describes a fragment linking methodology to generate new neuraminidase
inhibitors. A total number of 28,977 fragments from Zinc 20 have been obtained and …
inhibitors. A total number of 28,977 fragments from Zinc 20 have been obtained and …
Dietary plants, spices, and fruits in curbing SARS-CoV-2 virulence
M Kaviya, IP Geofferina, P Poornima, AP Rajan… - … and Drug Discovery for …, 2023 - Springer
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a virus that has caused a
global pandemic of coronavirus disease 2019 (COVID-19). The mutation that takes place in …
global pandemic of coronavirus disease 2019 (COVID-19). The mutation that takes place in …
Molecular docking, molecular dynamics and binding free energy based identification of novel potential multitarget inhibitors of Nipah virus
P Sinha, AK Yadav - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
Nipah virus (NiV) is one of the most common viral diseases affecting the brain and nervous
system of the body. To date, there is no significant antiviral drug specifically designed to …
system of the body. To date, there is no significant antiviral drug specifically designed to …
Conjugates of ibuprofen inhibit CHIKV infection and inflammation
Chikungunya virus infection has become a global health concern because of its high rates of
morbidity and mortality in patients with preexisting conditions. Inflammation and arthritis are …
morbidity and mortality in patients with preexisting conditions. Inflammation and arthritis are …
[PDF][PDF] Unlocking the potential of phytochemicals in inhibiting SARS-CoV-2 M Pro protein-An in-silico and cell-based approach
The main protease (MPro) of SARS-CoV-2 plays a crucial role in viral replication and is a
prime target for therapeutic interventions. Phytochemicals, known for their antiviral …
prime target for therapeutic interventions. Phytochemicals, known for their antiviral …