SARS-CoV-2 Antagonists Project

Objective: In this study, we have utilized COVID-19 main protease (Mpro) as a biological target to repurpose our previously reported multifunctional compounds targeting Alzheimer’s disease. Molecular docking, spatial orientation, molecular dynamics simulation, MM-GBSA energy calculation, and DFT studies were carried out with these molecules. The best compounds were subjected for cytotoxicity, and assessment of their capability to cross the blood–brain barrier in PAMPA assay, and antioxidant property evaluation through DPPH assay.

Collaborator: Dr. Gyan Prakash Modi, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005, India

Published Article: Click here 

Alzheimer's Disease Antagonists Project

Objective: In this study we developed a series of piperic acid (PA) analogs with the aim of overcoming the limitations associated with the natural products for the management of Alzheimer’s disease (AD). A comprehensive SAR study was performed to enhance cholinesterase inhibition of PA.

Collaborator: Dr. Sunil Kumar Mishra, Indian Institute of Technology (Banaras Hindu University), Varanasi 221005, India

Published Article: Click here 

4D Printed T-shaped Fabricate

Objective: Here, for the first time, a 4D printing approach is employed to fabricate T-shaped perfusable bifurcation using an extrusion-based multi-material 3D printing process. An alginate/methylcellulose-based dual-component hydrogel system (with defined swelling behavior) is nanoengineered with carbonized alginate (~ 100 nm) to introduce anti-oxidative, anti-inflammatory, and anti-thrombotic properties and shape-shifting properties. A computational model to predict shape deformations in the printed hydrogels with defined infill angles was designed and further validated experimentally.

Collaborator: Dr. Amit Nain and Dr. Kaushik Chatterjee, Indian Institute of Science, Bangalore, Karnataka 560012, India

Published Article: Click here