Naturally available flavonoid aglycones as potential antiviral drug candidates against SARS-CoV-2

AA Al-Karmalawy, MM Farid, A Mostafa, AY Ragheb… - Molecules, 2021 - mdpi.com
Flavonoids are important secondary plant metabolites that have been studied for a long time
for their therapeutic potential in inflammatory diseases because of their cytokine-modulatory …

A comprehensive update of various attempts by medicinal chemists to combat COVID-19 through natural products

A Rafiq, T Jabeen, S Aslam, M Ahmad, UA Ashfaq… - Molecules, 2023 - mdpi.com
The ongoing COVID-19 pandemic has resulted in a global panic because of its continual
evolution and recurring spikes. This serious malignancy is caused by the severe acute …

Synthesis, X-ray diffraction analysis, quantum chemical studies and α-amylase inhibition of probenecid derived S-alkylphthalimide-oxadiazole-benzenesulfonamide …

BA Khan, SS Hamdani, MN Ahmed… - Journal of enzyme …, 2022 - Taylor & Francis
Abstract Sulphonamide and 1, 3, 4-oxadiazole moieties are present as integral structural
parts of many drugs and pharmaceuticals. Taking into account the significance of these …

[HTML][HTML] Design, synthesis, docking and mechanistic studies of new thiazolyl/thiazolidinylpyrimidine-2, 4-dione antiproliferative agents

AA Aly, MB Alshammari, A Ahmad, HAM Gomaa… - Arabian Journal of …, 2023 - Elsevier
In this article, we display on the synthesis and biological evaluation of a new series of
thiazolylpyrimidine 3a-l and thiazolidinylpyrimidine derivatives 5a-e. The structures of the …

Deep-Sea Sponges and Corals off the Western Coast of Florida—Intracellular Mechanisms of Action of Bioactive Compounds and Technological Advances …

M Iskandar, KM Ruiz-Houston, SD Bracco, SR Sharkasi… - Marine Drugs, 2023 - mdpi.com
The majority of natural products utilized to treat a diverse array of human conditions and
diseases are derived from terrestrial sources. In recent years, marine ecosystems have …

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 …

Phytochemical composition, in vitro antimicrobial, antioxidant, and enzyme inhibition activities, and in silico molecular docking and dynamics simulations of Centaurea …

H Fatullayev, L Paşayeva, I Celik, U İnce, O Tugay - ACS omega, 2023 - ACS Publications
Centaurea lycaonica is a local endemic species from the Centaurea L. genus. The
Centaurea species has a wide range of usage in treating diseases in folk medicine. There …

Molecular docking and dynamics simulation studies of ginsenosides with SARS-CoV-2 host and viral entry protein targets

P Shifeng, V Boopathi, M Murugesan… - Natural Product …, 2022 - journals.sagepub.com
Despite the contemporary advancements in the field of science and medicine, combating the
coronavirus disease 2019 (COVID-19) is extremely challenging in many aspects as the virus …

Potential drug candidates as P-glycoprotein inhibitors to reverse multidrug resistance in cancer: an in silico drug discovery study

MAA Ibrahim, KAA Abdeljawaad… - Journal of …, 2023 - Taylor & Francis
The failure of chemotherapy in the treatment of carcinoma is mainly due to the development
of multidrug resistance (MDR), which is largely caused by the overexpression of P …

Exploring toxins for hunting SARS-CoV-2 main protease inhibitors: molecular docking, molecular dynamics, pharmacokinetic properties, and reactome study

MAA Ibrahim, AHM Abdelrahman, LA Jaragh-Alhadad… - Pharmaceuticals, 2022 - mdpi.com
The main protease (Mpro) is a potential druggable target in SARS-CoV-2 replication. Herein,
an in silico study was conducted to mine for Mpro inhibitors from toxin sources. A toxin and …