Spectroscopic, quantum computational, topological, Fukui functions and molecular docking analysis on a potential anti-cancer molecule Nicotinamide by DFT method

K Rajkumar, V Gokulakrishnan, S Anand… - Journal of Molecular …, 2024 - Elsevier
Nicotinamide has been identified as an anti-oxidant, anti-inflammatory and anti-tumorigenic
activity in the medical field. To evaluate the cytotoxic effects of nicotinamide against cancer …

Vibrational, theoretical characterisation and In Silico investigation of Norcinnamolaurine: a natural lead for inhibiting AURKA and overcoming immune evasion in …

P Sangavi, S Muthu, JN Cheerlin Mishma… - Molecular …, 2024 - Taylor & Francis
Alkaloids represent a diverse category of natural compounds with noteworthy
pharmacological and therapeutic applications. Benzylisoquinoline alkaloids (BIAs) are …

[PDF][PDF] Discovery of Potential Inhibitors for SFRP3: Ligand-Based 3D Pharmacophore, Virtual Screening, Molecular Docking, and Dynamics Studies

S Infant Deepthi, P Sangavi, G Priyanka… - researchgate.net
Cancer is a complicated and diverse family of diseases characterized by the body's aberrant
cells growing and spreading out of control. It is one of the major causes of mortality in the …