Your browser doesn't support javascript.
Derivation, Functionalization of (S)-Goniothalamin from Goniothalamus wightii and Their Derivative Targets SARS-CoV-2 MPro, SPro, and RdRp: A Pharmacological Perspective.
Palani, Vino; Chinnaraj, Santhosh; Shanmugasundaram, Murugesh; Malaisamy, Arunkumar; Maluventhen, Viji; Arumugam, Vijaya Anand; Rengasamy, Kannan R R; Balasubramanian, Balamuralikrishnan; Liu, Wen-Chao; Arumugam, Maruthupandian.
  • Palani V; Department of Botany, Periyar University, Salem 636011, India.
  • Chinnaraj S; Department of Botany, Periyar University, Salem 636011, India.
  • Shanmugasundaram M; Department of Botany, Periyar University, Salem 636011, India.
  • Malaisamy A; Integrative Biology Division, International Centre for Genetic Engineering and Biotechnology (ICGEB), New Delhi 110067, India.
  • Maluventhen V; Department of Botany, Thiagarajar College, Madurai 625009, India.
  • Arumugam VA; Department of Human Genetics and Molecular Biology, Bharathiar University, Coimbatore 641046, India.
  • Rengasamy KRR; Laboratory of Natural Products and Medicinal Chemistry (LNPMC), Department of Pharmacology, Saveetha Dental College, Saveetha Institute of Medical and Technical Sciences (SIMATS), Chennai 600077, India.
  • Balasubramanian B; Department of Food science and Biotechnology, College of Life Sciences, Sejong University, Seoul 05006, Korea.
  • Liu WC; Department of Animal Science, College of Coastal Agricultural Sciences, Guangdong Ocean University, Zhanjiang 524088, China.
  • Arumugam M; Department of Botany, Periyar University, Salem 636011, India.
Molecules ; 27(20)2022 Oct 17.
Article in English | MEDLINE | ID: covidwho-2071653
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.
Subject(s)
Keywords

Full text: Available Collection: International databases Database: MEDLINE Main subject: Goniothalamus / COVID-19 Drug Treatment Topics: Traditional medicine Limits: Humans Language: English Journal subject: Biology Year: 2022 Document Type: Article Affiliation country: Molecules27206962

Similar

MEDLINE

...
LILACS

LIS


Full text: Available Collection: International databases Database: MEDLINE Main subject: Goniothalamus / COVID-19 Drug Treatment Topics: Traditional medicine Limits: Humans Language: English Journal subject: Biology Year: 2022 Document Type: Article Affiliation country: Molecules27206962