Cheminformatics approaches to predict the bioactivity and to discover the pharmacophoric traits crucial to block NF-κB

Cheminformatics approaches to predict the bioactivity and to discover the pharmacophoric traits crucial to block NF-κB

Many human disorders include NF-kB signaling pathways, making IKK a therapeutic target in cancer treatment. Inflammatory illnesses and cancer are examples. COVID-19 is one of several triggers that stimulate NF-kB signaling. The activation of the NF-kB pathway is necessary for COVID-19 to cease its d...

Full description

Saved in:
Bibliographic Details
Main Authors: Rahul D. Jawarkar, Suraj N. Mali, Rahul G. Ingle, Sami A. Al-Hussain, Aamal A. Al-Mutairi, Prashant Deshmukh, Magdi E.A. Zaki
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Chemical Physics Impact
Subjects:
QSAR
Molecular docking
Pharmacophore modeling
MD simulation
MMGBSA
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022424002640
Tags: Add Tag
No Tags, Be the first to tag this record!

Similar Items

Similar Items