Leveraging nitrogen occurrence in approved drugs to identify structural patterns

by Masand, Vijay H, Al-Hussain, Sami, Alzahrani, Abdullah Y., El-Sayed, Nahed N., Yeo, Chien Ing *, Tan, Yee Seng *, Zaki, Magdi E A
Published 2024

QSAR modelling to predict structural features of certain sulfonamide as Urokinase-type Plasminogen Activator inhibitors

by Jawarkar, Rahul D, Zaki, Magdi E A, Al-Hussain, Sami, Alzahrani, Abdullah Yahya Abdullah, Long, Chiau Ming *, Samad, Abdul, Ingle, Rahul G., Mali, Suraj N.
Published 2024

QSAR and docking based lead optimization of nitrogen heterocycles for enhanced prostaglandin EP2 receptor agonistic potency

by Jawarkar, Rahul D, Zaki, Magdi E A, Al-Hussain, Sami A, Samad, Abdul, Long, Chiau Ming *, Rashid, Summya, Elossaily, Gehan M., Yadav, Susmita, Mali, Suraj
Published 2024

Mechanistic QSAR analysis to predict the binding affinity of diverse heterocycles as selective cannabinoid 2 receptor inhibitor

by Jawarkar, Rahul D, Zaki, Magdi E A, Al-Hussain, Sami A, Alzahrani, Abdullah Yahya Abdullah, Long, Chiau Ming *, Samad, Abdul, Rashid, Summya, Mali, Suraj, Elossaily, Gehan M.
Published 2023

QSAR modeling approaches to identify a novel ACE2 inhibitor that selectively bind with the C and N terminals of the ectodomain

by Jawarkar, Rahul D, Zaki, Magdi E A, Al-Hussain, Sami A, Al-Mutairi, Aamal A, Samad, Abdul, Mukerjee, Nobendu, Ghosh, Arabinda, Masand, Vijay H, Long, Chiau Ming *, Rashid, Summya
Published 2024