Muhammad Waqas, Saeed Ullah, Sobia Ahsan Halim, Inam Ullah, Najeeb Ur Rehman, Afnan Jan, Asaad Khalid, Amjad Ali, Ajmal Khan, Ahmed Al-Harrasi
BACKGROUND/AIM: The global pandemic caused by the novel SARS-CoV-2 virus underscores the urgent need for therapeutic interventions. Targeting the virus's main protease (Mpro), crucial for viral replication, is a promising strategy. OBJECTIVE: The current study aims to discover novel inhibitors of Mpro. METHODS: The current study identified five natural compounds (myrrhanol B (C1), myrrhanone B (C2), catechin (C3), quercetin (C4), and feralolide (C5) with strong inhibitory potential against Mpro through virtual screening and computational methods, predicting their binding efficiencies and validated it using the in-vitro inhibition activity...
April 5, 2024: Current Medicinal Chemistry