High throughput virtual screening reveals SARS-CoV-2 multi-target binding natural compounds to lead instant therapy for COVID-19 treatment

B Naik, N Gupta, R Ojha, S Singh, VK Prajapati… - International Journal of …, 2020 - Elsevier
The present-day world is severely suffering from the recently emerged SARS-CoV-2. The
lack of prescribed drugs for the deadly virus has stressed the likely need to identify novel …

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 …

Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2

S Mahmud, MAR Uddin, M Zaman… - Journal of …, 2021 - Taylor & Francis
Newly emerged SARS-CoV-2 made recent pandemic situations across the globe is
accountable for countless unwanted death and insufferable panic associated with co …

Targeting the 3CLpro and RdRp of SARS-CoV-2 with phytochemicals from medicinal plants of the Andean Region: molecular docking and molecular dynamics …

F Mosquera-Yuqui, N Lopez-Guerra… - Journal of …, 2022 - Taylor & Francis
Given the highly contagious nature of SARS-CoV-2, it has resulted in an unprecedented
number of COVID-19 infected and dead people worldwide. Since there is currently no …

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 …

Anti-SARS-CoV-2 activities of tanshinone IIA, carnosic acid, rosmarinic acid, salvianolic acid, baicalein, and glycyrrhetinic acid between computational and in vitro …

D Elebeedy, WF Elkhatib, A Kandeil, A Ghanem… - RSC …, 2021 - pubs.rsc.org
Six compounds namely, tanshinone IIA (1), carnosic acid (2), rosmarinic acid (3), salvianolic
acid B (4), baicalein (5), and glycyrrhetinic acid (6) were screened for their anti-SARS-CoV-2 …

Exploration of anti-HIV phytocompounds against SARS-CoV-2 main protease: Structure-based screening, molecular simulation, ADME analysis and conceptual DFT …

M Murali, HG Gowtham, N Shilpa, HKN Krishnappa… - Molecules, 2022 - mdpi.com
The ever-expanding pandemic severe acute respiratory syndrome coronavirus 2 (SARS-
CoV-2) infection has gained attention as COVID-19 and caused an emergency in public …

Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity …

MTJ Quimque, KIR Notarte… - Journal of …, 2021 - Taylor & Francis
The novel coronavirus SARS-CoV2, the causative agent of the pandemic disease COVID-
19, emerged in December 2019 forcing lockdown of communities in many countries. The …

Identification of natural products inhibiting SARS-CoV-2 by targeting viral proteases: a combined in silico and in vitro approach

A Wasilewicz, B Kirchweger, D Bojkova… - Journal of Natural …, 2023 - ACS Publications
In this study, an integrated in silico–in vitro approach was employed to discover natural
products (NPs) active against SARS-CoV-2. The two SARS-CoV-2 viral proteases, ie, main …

[HTML][HTML] Potential bioactive compounds as SARS-CoV-2 inhibitors from extracts of the marine red alga Halymenia durvillei (Rhodophyta)–A computational study

ACMAR Tassakka, O Sumule, MN Massi… - Arabian Journal of …, 2021 - Elsevier
The respiratory infection COVID-19 caused by the virus SARS CoV-2 has continued to be a
major health problem worldwide and has caused more than a million mortalities. Even if the …