Derivation, Functionalization of (S)-Goniothalamin from Goniothalamus wightii and Their Derivative Targets SARS-CoV-2 MPro, SPro, and RdRp: A Pharmacological Perspective

Abstract

The tracing of an alternative drug, Phytochemicals is a promising approach to the viral threats that have emerged over the past two years. Across the world, herbal medicine is a better solution against anti-viral diseases during pandemic periods. Goniothalamus wightii is an herbal plant, which has diverse bioactive compounds with anticancer, antioxidant, and anti-viral properties. The aim of the study was to isolate the compound by chromatography studies and functionalization by FT-IR, LC-MS, and NMR (C-NMR, H-NMR). As a result, the current work focuses on whether (S)-Goniathalamin and its analogue could act as natural anti-viral molecules for multiple target proteins viz., MPro, RdRp, and SPro, which are required for SARS-CoV-2 infection. Overall, 954 compounds were examined and the molecular-docking studies were performed on the maestro platform of Schrodinger software. Molecular-dynamics simulation studies were performed on two complex major compounds to confirm their affinity across 150 simulations. This research suggests that plant-based drugs have high levels of antiviral properties against coronavirus. However, more research is needed to verify its antiviral properties.

Pharmacognostic, characterization, physio-chemical scrutinizes, and biological attributes of <i>Goniothalamus wightii</i>

“…Secondary metabolites are the chemically several classes react as the inhibitory control of all types of microorganisms. Antibiotics compounds either prevent bacteria from multiplying or kill them immediately upon the formation of bactericidal agents (Palani et al, 2022). Bacterial biofilm generates physical and chemical barriers, and so on; antimicrobials are unable to pass through the bacterial cell.…”

“…Goniothalamus is one of the most diverse paleotropical plant genera in the Annonaceae family, with over 130 species found in India. In this genus are attracted and considering as a potential source of drugs that contain specialized metabolites such as acetogenins and styrylactones/pyrones that have effective cytotoxic properties (Palani et al, 2022). Among those, Goniothalamus wightii Hook.…”