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 …

The sea lettuce Ulva sensu lato: Future food with health-promoting bioactives

S Madhusudan, R Baskaran - Algal Research, 2023 - Elsevier
Marine green macroalgae are a valuable natural resource for bioactive phytochemicals that
have potential applications in therapeutics, even though they remain largely under …

Multidisciplinary approaches identify compounds that bind to human ACE2 or SARS-CoV-2 spike protein as candidates to block SARS-CoV-2–ACE2 receptor …

CJ Day, B Bailly, P Guillon, L Dirr, FEC Jen… - MBio, 2021 - Am Soc Microbiol
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a recently emerged virus
that causes coronavirus infectious disease 2019 (COVID-19). SARS-CoV-2 spike protein …

[HTML][HTML] Phytocompounds of Rheum emodi, Thymus serpyllum, and Artemisia annua Inhibit Spike Protein of SARS-CoV-2 Binding to ACE2 Receptor: In Silico …

R Rolta, D Salaria, PP Sharma, B Sharma… - Current pharmacology …, 2021 - Springer
COVID-19, the disease caused by SARS-CoV-2, has been declared as a global pandemic.
Traditional medicinal plants have long history to treat viral infections. Our in silico approach …

[HTML][HTML] Viral inhibitors derived from macroalgae, microalgae, and cyanobacteria: A review of antiviral potential throughout pathogenesis

D Reynolds, M Huesemann, S Edmundson, A Sims… - Algal Research, 2021 - Elsevier
Viruses are abiotic obligate parasites utilizing complex mechanisms to hijack cellular
machinery and reproduce, causing multiple harmful effects in the process. Viruses represent …

[HTML][HTML] In silico investigation of potential inhibitors to main protease and spike protein of SARS-CoV-2 in propolis

AH Harisna, R Nurdiansyah, PH Syaifie… - … and Biophysics Reports, 2021 - Elsevier
Docking analysis of propolis's natural compound was successfully performed against SARS-
CoV-2 main protease (Mpro) and spike protein subunit 2 (S2). Initially, the propolis's protein …

Hepatitis C Virus Protease Inhibitors Show Differential Efficacy and Interactions with Remdesivir for Treatment of SARS-CoV-2 In Vitro

KA Gammeltoft, Y Zhou… - Antimicrobial Agents …, 2021 - Am Soc Microbiol
Antivirals targeting severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) could
improve treatment of COVID-19. We evaluated the efficacy of clinically relevant hepatitis C …

[HTML][HTML] Chemically Diverse and Biologically Active Secondary Metabolites from Marine Phylum chlorophyta

SAA Shah, SSU Hassan, S Bungau, Y Si, H Xu… - Marine drugs, 2020 - mdpi.com
For a long time, algal chemistry from terrestrial to marine or freshwater bodies, especially
chlorophytes, has fascinated numerous investigators to develop new drugs in the …

In silico investigation and potential therapeutic approaches of isoquinoline alkaloids for neurodegenerative diseases: computer-aided drug design perspective

R Ahmed Atto Al-Shuaeeb… - Journal of …, 2023 - Taylor & Francis
Microtubule affinity regulating kinase (MARK4) has been proposed as a potential
therapeutic target for diabetes, cancer, and neurological diseases. We used a variety of …

[HTML][HTML] In silico evaluation of different flavonoids from medicinal plants for their potency against SARS-CoV-2

HRA El-Mageed, DA Abdelrheem, MO Rafi, MT Sarker… - Biologics, 2021 - mdpi.com
The ongoing pandemic situation of COVID-19 caused by severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2) poses a global threat to both the world economy and public …