Computational investigation of Scutellarein derivatives as an inhibitor against triple-negative breast cancer by Quantum calculation, and drug-designed approaches
Shopnil Akash, Farjana Islam Aovi, AK Azad, Ajoy Kumer, Unesco Chakma, Md. Rezaul Islam, Nobendu Mukerjee, Md. Mominur Rahman, İmren Bayıl, Summya Rashid, Rohit Sharma
The paper computationally designs Scutellarein derivatives as potential inhibitors for triple-negative breast cancer using quantum calculations and drug-design approaches, identifying DM03 and DM04 as promising candidates with strong binding affinity.
bioRxiv · Mar 6, 2023 · PreprintBioinformatics