Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations

In silico Screening of Natural Compounds as Potential Inhibitors of SARS-CoV-2 Main Protease and Spike RBD: Targets for COVID-19

(2021) Divya M. Teli et al.   Frontiers in Molecular Biosciences

A small molecule compound with an indole moiety inhibits the main protease of SARS-CoV-2 and blocks virus replication

(2021) Shin-ichiro Hattori et al.   Nature Communications

Identification of Natural Compounds (Proanthocyanidin and Rhapontin) as High-Affinity Inhibitor of SARS-CoV-2 Mpro and PLpro using Computational Strategies

(2021) Mohamed AlAjmi et al.   Archives of Medical Science

SARS-CoV-2 entry inhibitors by dual targeting TMPRSS2 and ACE2: An in silico drug repurposing study

(2021) Krishnaprasad Baby et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Emetine, a potent alkaloid for the treatment of SARS-CoV-2 targeting papain-like protease and non-structural proteins: pharmacokinetics, molecular docking and dynamic studies

(2021) Mejdi Snoussi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Natural products and phytochemicals as potential anti‐SARS‐CoV ‐2 drugs

(2021) Myriam Merarchi et al.   PHYTOTHERAPY RESEARCH

In silico search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined approach of structure-based virtual screening and molecular dynamics simulation

(2020) Harun M. Patel et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis, in vitro antimicrobial assessment, and computational investigation of pharmacokinetic and bioactivity properties of novel trifluoromethylated compounds using in silico ADME and toxicity prediction tools

(2020) Siwar Ghannay et al.   MONATSHEFTE FUR CHEMIE

A new coronavirus associated with human respiratory disease in China

(2020) Fan Wu et al.   NATURE

Identification of a novel coronavirus causing severe pneumonia in human

(2020) Li-Li Ren et al.   CHINESE MEDICAL JOURNAL

BREED based de novo hybridization approach: generating novel T790M/C797S-EGFR tyrosine kinase inhibitors to overcome the problem of mutation and resistance in non small cell lung cancer (NSCLC)

(2020) Harun M. Patel et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

In-silico approaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel

(2020) Manoj Kumar Gupta et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Rapid Identification of Potential Inhibitors of SARS‐CoV‐2 Main Protease by Deep Docking of 1.3 Billion Compounds

(2020) Anh-Tien Ton et al.   Molecular Informatics

Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

(2020) Linlin Zhang et al.   SCIENCE

Tomatidine, a natural steroidal alkaloid shows antiviral activity towards chikungunya virus in vitro

(2020) Berit Troost et al.   Scientific Reports

Comparative molecular investigation of the potential inhibitors against SARS-CoV-2 main protease: a molecular docking study

(2020) Md. Arif Khan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Thymus musilii Velen. as a promising source of potent bioactive compounds with its pharmacological properties: In vitro and in silico analysis

(2020) Khalil Mseddi et al.   Arabian Journal of Chemistry

Design, synthesis ADMET and molecular docking of new imidazo[4,5-b]pyridine-5-thione derivatives as potential tyrosyl-tRNA synthetase inhibitors

(2020) Ismail M.M. Othman et al.   BIOORGANIC CHEMISTRY

Targeting Natural Products for the Treatment of COVID-19 – An Updated Review

(2020) Ramachandra Reddy Pamuru et al.   CURRENT PHARMACEUTICAL DESIGN

Anti-SARS-CoV Natural Products With the Potential to Inhibit SARS-CoV-2 (COVID-19)

(2020) Surjeet Verma et al.   Frontiers in Pharmacology

Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro

(2020) Shiv Bharadwaj et al.   BRIEFINGS IN BIOINFORMATICS

Inhibition effects of patchouli alcohol against influenza a virus through targeting cellular PI3K/Akt and ERK/MAPK signaling pathways

(2019) Yunjia Yu et al.   Virology Journal

Nsp3 of coronaviruses: Structures and functions of a large multi-domain protein

(2018) Jian Lei et al.   ANTIVIRAL RESEARCH

Phytochemicals, antioxidant and antimicrobial potentials and LC-MS analysis of hydroalcoholic extracts of leaves and flowers of Erodium glaucophyllum collected from Tunisian Sahara

(2018) Sana BAKARI et al.   Food Science and Technology

Phytochemicals, antioxidant and antimicrobial potentials and LC-MS analysis of hydroalcoholic extracts of leaves and flowers of Erodium glaucophyllum collected from Tunisian Sahara

(2018) Sana BAKARI et al.   Food Science and Technology

Tomatidine, a novel antiviral compound towards dengue virus

(2018) Mayra Diosa-Toro et al.   ANTIVIRAL RESEARCH

Availability, Pharmaceutics, Security, Pharmacokinetics, and Pharmacological Activities of Patchouli Alcohol

(2017) Guanying Hu et al.   Evidence-based Complementary and Alternative Medicine

Cardiopreventive effect of ethanolic extract of Date Palm Pollen against isoproterenol induced myocardial infarction in rats through the inhibition of the angiotensin-converting enzyme

(2017) Amal Daoud et al.   EXPERIMENTAL AND TOXICOLOGIC PATHOLOGY

Tomatidine Attenuates Airway Hyperresponsiveness and Inflammation by Suppressing Th2 Cytokines in a Mouse Model of Asthma

(2017) Chieh-Ying Kuo et al.   MEDIATORS OF INFLAMMATION

Recent Advances and Applications of Molecular Docking to G Protein-Coupled Receptors

(2017) Damian Bartuzi et al.   MOLECULES

Investigation of phytochemical contents, in vitro antioxidant and antibacterial behavior and in vivo anti-inflammatory potential of Ecballium elaterium methanol fruits extract

(2017) Samir FELHI et al.   Food Science and Technology

Nutritional, phytochemical and antioxidant evaluation and FT-IR analysis of freeze dried extracts of Ecballium elaterium fruit juice from three localities

(2016) Samir FELHI et al.   Food Science and Technology

Targeting human respiratory syncytial virus transcription anti-termination factor M2-1 to inhibit in vivo viral replication

(2016) B. Bailly et al.   Scientific Reports

Nutritional, phytochemical and antioxidant evaluation and FT-IR analysis of freeze dried extracts of Ecballium elaterium fruit juice from three localities

(2016) Samir FELHI et al.   Food Science and Technology

α-tomatine inhibits growth and induces apoptosis in HL-60 human myeloid leukemia cells

(2015) HUARONG HUANG et al.   Molecular Medicine Reports

Unraveling the structure–activity relationship of tomatidine, a steroid alkaloid with unique antibiotic properties against persistent forms of Staphylococcus aureus

(2014) Félix Chagnon et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Tomatidine inhibits invasion of human lung adenocarcinoma cell A549 by reducing matrix metalloproteinases expression

(2013) Kun-Huang Yan et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Patchouli alcohol: in vitro direct anti-influenza virus sesquiterpene in Pogostemon cablin Benth.

(2011) Hiroaki Kiyohara et al.   Journal of Natural Medicines

Inhibitory Effect and Possible Mechanism of Action of Patchouli Alcohol against Influenza A (H2N2) Virus

(2011) Huaxing Wu et al.   MOLECULES

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Tomatidine inhibits iNOS and COX-2 through suppression of NF-κB and JNK pathways in LPS-stimulated mouse macrophages

(2008) Feng-Lan Chiu et al.   FEBS LETTERS