In silico detection of potential inhibitors from vitamins and their derivatives compounds against SARS-CoV-2 main protease by using molecular docking, molecular …

A Belhassan, S Chtita, H Zaki, M Alaqarbeh… - Journal of molecular …, 2022 - Elsevier
COVID-19 is a new infectious disease caused by SARS-COV-2 virus of the coronavirus
Family. The identification of drugs against this serious infection is a significant requirement …

Efficient synthesis and molecular docking analysis of quinazoline and azole hybrid derivatives as promising agents for anti-cancer and anti-tuberculosis activities

G Kumar, P Kumar, A Soni, V Sharma… - Journal of Molecular …, 2024 - Elsevier
Molecular docking is a computational method based on bioinformatics that simulates the
interaction dynamics of molecules such as ligands and receptors, predicting their binding …

Recent advances on biological activities and structural modifications of dehydroabietic acid

M Hao, J Xu, H Wen, J Du, S Zhang, M Lv, H Xu - Toxins, 2022 - mdpi.com
Dehydroabietic acid is a tricyclic diterpenoid resin acid isolated from rosin. Dehydroabietic
acid and its derivatives showed lots of medical and agricultural bioactivities, such as …

[HTML][HTML] He-Chan Pian inhibits the metastasis of non-small cell lung cancer via the miR-205-5p-mediated regulation of the GREM1/Rap1 signaling pathway

J Kan, B Fu, R Zhou, D Zhou, Y Huang, H Zhao… - Phytomedicine, 2022 - Elsevier
Abstract Background He-Chan Pian (HCP), a traditional Chinese medicinal formula, shows
promising efficacy for the treatment of lung cancer. Purpose Gremlin (GREM1) plays an …

Computational Prediction of 3, 5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by …

MA El Alaouy, M Alaqarbeh, M Ouabane… - Journal of …, 2023 - Taylor & Francis
The efficacy of 40 synthesized variants of 3, 5-diaryl-1H-pyrazole and spiropyrazoline'
derivatives as acetylcholinesterase inhibitors is verified using a quantitative three …

Network pharmacology integrated molecular docking of fucoidan against oral cancer and in vitro evaluation- A study using GEO datasets

AJ Antonisamy, K Rajendran… - Journal of Biomolecular …, 2024 - Taylor & Francis
Oral cancer is a widespread health concern in rural India due to a lack of awareness,
delayed diagnosis and limited access to affordable treatment options. The current …

[HTML][HTML] Design, synthesis and evaluation of novel dehydroabietic acid-dithiocarbamate hybrids as potential multi-targeted compounds for tumor cytotoxicity

C Ni, YJ Wu, M Ran, J Li, H Li, C Lan, J Liu… - Arabian Journal of …, 2022 - Elsevier
In the present study, novel representatives of the important group of biologically-active,
dehydroabietic acid-bearing dithiocarbamate moiety, were synthesized and characterized …

Synthesis, antitumor evaluation and computational study of thiazolidinone derivatives of dehydroabietic acid-based B ring-fused-thiazole

NY Chen, CP Li, HF Huang - Molecular Diversity, 2024 - Springer
In an attempt to search for new natural product-based antitumor agents, a series of novel
thiazolidinone derivatives of dehydroabietic acid-based B ring-fused-thiazole were designed …

Identification of musk compounds as inhibitors of the main SARS-CoV-2 protease by molecular docking and molecular dynamics studies

A Belhassan, G Salgado… - Journal of the Serbian …, 2024 - shd-pub.org.rs
As new drug development is a long process, reuse of bioactives may be the answer to new
epidemics; thus, screening existing bioactive compounds against a new SARS-CoV-2 …