[HTML][HTML] Inhibition of the main protease of SARS-CoV-2 (Mpro) by repurposing/designing drug-like substances and utilizing nature's toolbox of bioactive compounds

I Antonopoulou, E Sapountzaki, U Rova… - Computational and …, 2022 - Elsevier
The emergence of the Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2)
has resulted in a long pandemic, with numerous cases and victims worldwide and enormous …

Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Potent bioactive compounds from seaweed waste to combat cancer through bioinformatics investigation

KK Bharadwaj, I Ahmad, S Pati, A Ghosh… - Frontiers in …, 2022 - frontiersin.org
The seaweed industries generate considerable amounts of waste that must be appropriately
managed. This biomass from marine waste is a rich source of high-value bioactive …

Echinacoside upregulates Sirt1 to suppress endoplasmic reticulum stress and inhibit extracellular matrix degradation in vitro and ameliorates osteoarthritis in vivo

Z Lin, C Teng, L Ni, Z Zhang, X Lu, J Lou… - Oxidative medicine …, 2021 - Wiley Online Library
Background. Osteoarthritis (OA) is a progressive illness that destroys cartilage. Oxidative
stress is a major contributor of OA, while endoplasmic reticulum (ER) stress is the key …

[HTML][HTML] **hua Qinggan Granule UHPLC-Q-extractive-Orbitrap-MS assay: putative identification of 45 potential anti-Covid-19 constituents, confidential addition, and …

J Zeng, X Li, R Cai, C Li, S Chen - Journal of Food and Drug …, 2023 - ncbi.nlm.nih.gov
The study combined UHPLC-Q-Orbitrap-MS analysis with authentic standards, to create a
novel strategy for isomers recognition and putative identification. Through the strategy, anti …

Exploration of potent antiviral phytomedicines from Lauraceae family plants against SARS-CoV-2 RNA-dependent RNA polymerase

AA Rabaan, MA Halwani, M Aljeldah… - Journal of …, 2023 - Taylor & Francis
RNA-dependent RNA polymerase, also known as RdRp, is a possible therapeutic target that
could be used to suppress the proliferation of RNA viruses such as SARS-CoV-2. This …

Virtual combinatorial library screening of quinadoline B derivatives against SARS-CoV-2 RNA-dependent RNA polymerase

S Brogi, MT Quimque, KI Notarte, JG Africa… - Computation, 2022 - mdpi.com
The unprecedented global health threat of SARS-CoV-2 has sparked a continued interest in
discovering novel anti-COVID-19 agents. To this end, we present here a computer-based …