Synthesis and anti-SARS-CoV-2 potential of novel coumarin hybrids: a combined wet/dry lab approach targeting M Pro , Nsp15 and spike protein
Rukhsana Kausar, Asim Mansha, Ameer Fawad Zahoor, Muhammad Athar Haroon · RSC Advances · 2025
, chloroquine, lopinavir, remdesivir, favipiravir, and nirmatrelvir. The stability of the potent compounds (14b and 14c) was further supported by a 100 ns MD simulation, emphasizing their potent and stable interactions with the main protease, endoribonuclease, and spike protein. The current study highlights the coumarin-based conjugates 14(a-h) and 17(a-h) as attractive and promising candidates for future pharmacological interventions against SARS-CoV-2.