Plant derived active compounds of ayurvedic neurological formulation, Saraswatharishta as a potential dual leucine zipper kinase inhibitor: an in-silico study

S Koirala, R Roy, S Samanta… - Journal of Biomolecular …, 2024 - Taylor & Francis
Recent findings have highlighted the essential role of dual leucine zipper kinase (DLK) in
neuronal degeneration. Saraswatharishta (SWRT), an ayurvedic formulation utilized in …

Exploring the binding effects of natural products and antihypertensive drugs on SARS-CoV-2: an in silico investigation of main protease and spike protein

K Moschovou, M Antoniou, E Chontzopoulou… - International Journal of …, 2023 - mdpi.com
In this in silico study, we conducted an in-depth exploration of the potential of natural
products and antihypertensive molecules that could serve as inhibitors targeting the key …

4 ″-Alkyl EGCG Derivatives Induce Cytoprotective Autophagy Response by Inhibiting EGFR in Glioblastoma Cells

S Singh, P Ghosh, R Roy, A Behera, R Sahadevan… - ACS …, 2024 - ACS Publications
Epidermal growth factor receptor (EGFR)-targeted therapy has been proven vital in the last
two decades for the treatment of multiple cancer types, including nonsmall cell lung cancer …

[HTML][HTML] Identification of potential antiviral lead inhibitors against SARS-CoV-2 Main protease: structure-guided virtual screening, docking, ADME, and MD simulation …

G Lanka, R Bathula, B Ghosh, SR Potlapally - Artificial Intelligence …, 2023 - Elsevier
The novel coronavirus disease (COVID-19) was caused by a new strain of the virus SARS-
CoV-2 in December 2019 emerged as deadly pandemic that affected millions of people …

Predicting immune response targets in orthoflaviviruses through sequence homology and computational analysis

VN Are, R Roy, SK Dhanda, S Neema, NR Sahu… - Journal of Molecular …, 2024 - Springer
Context Flaviviruses cause severe encephalitic or hemorrhagic diseases in humans. Its
members, Kyasanur forest disease virus (KFDV) and Alkhumra hemorrhagic fever virus …

Stereo-selectivity of enantiomeric inhibitors to ubiquitin-specific protease 7 (USP7) dissected by molecular docking, molecular dynamics simulations, and binding free …

Y Zhang, W Dou, Z Zhao, G Li, C Li, X Chen, L Mou - Molecular Diversity, 2024 - Springer
The ubiquitin-specific protease 7 (USP7), as a member of deubiquitination enzymes,
represents an attractive therapeutic target for various cancers, including prostate cancer and …

Exploring antiviral properties of Favipiravir analogues; A computational approach

TV Thomas, AKS Pillai, A Thakur - AIP Conference Proceedings, 2024 - pubs.aip.org
The role of repurposed and analogous drug systems has become prominent during the
pandemic when the world struggled to synthesize and mobilize novel antiviral medicines in …