[HTML][HTML] Probing marine brown macroalgal phlorotannins as antiviral candidate against SARS-CoV-2: Molecular docking and dynamics simulation approach

S Gunaseelan, M Arunkumar, MK Aravind, S Gayathri… - Molecular Diversity, 2022 - Springer
Over the past year, owing to the emergent demand for the search for potential COVID-19
therapeutics, identifying alternative candidates from biological sources is one of the …

[HTML][HTML] Molecular Docking and Dynamics Simulation Study of Hyrtios erectus Isolated Scalarane Sesterterpenes as Potential SARS-CoV-2 Dual Target Inhibitors

SS Elhady, RFA Abdelhameed, RT Malatani… - Biology, 2021 - mdpi.com
Simple Summary The ongoing coronavirus disease-2019 (COVID-19) pandemic shows
unprecedented challenges for the worldwide healthcare system. Despite the large clinical …

[HTML][HTML] Marine Alga Ulva fasciata-Derived Molecules for the Potential Treatment of SARS-CoV-2: An In Silico Approach

HS Kalasariya, NB Patel, A Gacem, T Alsufyani… - Marine Drugs, 2022 - mdpi.com
SARS-CoV-2 is the causative agent of the COVID-19 pandemic. This in silico study aimed to
elucidate therapeutic efficacies against SARS-CoV-2 of phyco-compounds from the …

Investigation of the dual role of acyl phloroglucinols as a new hope for antibacterial and anti-SARS-CoV-2 agents employing integrated in vitro and multi-phase in …

WE Prasetyo, T Kusumaningsih… - Journal of …, 2023 - Taylor & Francis
With the rapid spread of multi-drug-resistant bacteria and more infectious or aggressive
variants of SARS-CoV-2, it is critical to develop drugs that can quickly adapt to evolving …

Target-based virtual screening and LC/MS-guided isolation procedure for identifying phloroglucinol-terpenoid inhibitors of SARS-CoV-2

B Hou, YM Zhang, HY Liao, LF Fu, DD Li… - Journal of Natural …, 2022 - ACS Publications
The coronavirus disease 2019 (COVID-19) pandemic, caused by severe acute respiratory
syndrome coronavirus 2 (SARS-CoV-2), has led to more than 5 million deaths worldwide to …

Marine algal antagonists targeting 3CL protease and spike glycoprotein of SARS-CoV-2: a computational approach for anti-COVID-19 drug discovery

M Arunkumar, S Gunaseelan… - Journal of …, 2022 - Taylor & Francis
The COVID-19 pandemic has severely destructed human life worldwide, with no suitable
treatment until now. SARS-CoV-2 virus is unprecedented, resistance against number of …

[HTML][HTML] Polyphenolic compounds isolated from marine algae attenuate the replication of SARS-CoV-2 in the host cell through a multi-target approach of 3CLpro and …

DP Nagahawatta, NM Liyanage, JG Je… - Marine Drugs, 2022 - mdpi.com
A global health concern has emerged as a response to the recent SARS-CoV-2 pandemic.
The identification and inhibition of drug targets of SARS-CoV-2 is a decisive obligation of …

In silico screening of the effectiveness of natural compounds from algae as SARS-CoV-2 inhibitors: Molecular docking, ADMT profile and molecular dynamic studies

HSH Mohammed Ali, HN Altayb… - Journal of …, 2023 - Taylor & Francis
Marine species are known as rich sources of metabolites largely involved in the
pharmaceutical industry. This study aimed to evaluate in silico the effect of natural …

[HTML][HTML] Antiviral Potential of Antillogorgia americana and elisabethae Natural Products against nsp16–nsp10 Complex, nsp13, and nsp14 Proteins of SARS-CoV-2 …

O Pokharkar, H Lakshmanan, GV Zyryanov… - Microbiology …, 2023 - mdpi.com
Biomolecules of marine origin have many applications in the field of biotechnology and
medicine, but still hold great potential as bioactive substances against different diseases …

A review on molecular docking analysis of phytocompounds against SARS-CoV-2 druggable targets

AT Jamiu, CH Pohl, S Bello, T Adedoja, S Sabiu - All Life, 2021 - Taylor & Francis
The novel β-coronavirus, SARS-CoV-2, responsible for the coronavirus disease 2019
(COVID-19) emerged in China in December 2019. Due to its high transmission and infection …