A review on potential of natural products in the management of COVID-19

R Chakravarti, R Singh, A Ghosh, D Dey, P Sharma… - RSC …, 2021 - pubs.rsc.org
At the end of 2019, a life threatening viral infection (COVID-19) caused by a novel
coronavirus, Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) was …

Recent developments in free energy calculations for drug discovery

E King, E Aitchison, H Li, R Luo - Frontiers in Molecular Biosciences, 2021 - frontiersin.org
The grand challenge in structure-based drug design is achieving accurate prediction of
binding free energies. Molecular dynamics (MD) simulations enable modeling of …

[HTML][HTML] Repurposing of phytomedicine-derived bioactive compounds with promising anti-SARS-CoV-2 potential: Molecular docking, MD simulation and drug-likeness …

M Rudrapal, N Gogoi, D Chetia, J Khan… - Saudi journal of …, 2022 - Elsevier
In view of the potential of traditional plant-based remedies (or phytomedicines) in the
management of COVID-19, the present investigation was aimed at finding novel anti-SARS …

In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2

M Rudrapal, AR Issahaku, C Agoni… - Journal of …, 2022 - Taylor & Francis
Due to the unavailability specific drugs or vaccines (FDA approved) that can cure COVID-19,
the development of potent antiviral drug candidates/therapeutic molecules against COVID …

In silico analysis of the apoptotic and HPV inhibitory roles of some selected phytochemicals detected from the rhizomes of greater cardamom

A Nag, P Verma, S Paul, R Kundu - Applied Biochemistry and …, 2022 - Springer
Occurrence of cervical cancer, caused due to persistent human papilloma virus (HPV)
infection, is common in women of developing countries. As the conventional treatments are …

Molecular interactions of tannic acid with proteins associated with SARS-CoV-2 infectivity

M Haddad, R Gaudreault, G Sasseville… - International journal of …, 2022 - mdpi.com
The overall impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on
our society is unprecedented. The identification of small natural ligands that could prevent …

Molecular mechanism and role of Japanese encephalitis virus infection in central nervous system-mediated diseases

P Yadav, P Chakraborty, NK Jha, S Dewanjee, AK Jha… - Viruses, 2022 - mdpi.com
The Japanese encephalitis virus (JEV) is the most common cause of neurodegenerative
disease in Southeast Asia and the Western Pacific region; approximately 1.15 billion people …

Both Baicalein and Gallocatechin Gallate Effectively Inhibit SARS-CoV-2 Replication by Targeting Mpro and Sepsis in Mice

T Xiao, M Cui, C Zheng, P Zhang, S Ren, J Bao, D Gao… - Inflammation, 2022 - Springer
The emergence of severe acute syndrome coronavirus 2 (SARS-CoV-2) in December 2019
has led to the global COVID-19 pandemic. Although the symptoms of most COVID-19 …

In silico studies of natural product-like caffeine derivatives as potential MAO-B inhibitors/AA2AR antagonists for the treatment of Parkinson's disease

Y Boulaamane, MAA Ibrahim, MR Britel… - Journal of Integrative …, 2022 - degruyter.com
Parkinson's disease is considered the second most frequent neurodegenerative disease. It
is described by the loss of dopaminergic neurons in the mid-brain. For many decades, L …

[HTML][HTML] Jinhua 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 …