Rutin Is a Low Micromolar Inhibitor of SARS-CoV-2 Main Protease 3CLpro: Implications for Drug Design of Quercetin Analogs

Antiviral activity of bioactive phytocompounds against coronavirus: An update

(2021) Riya Bhattacharya et al.   JOURNAL OF VIROLOGICAL METHODS

Natural and Nature-Derived Products Targeting Human Coronaviruses

(2021) Konstantina Vougogiannopoulou et al.   MOLECULES

Current Updates on Naturally Occurring Compounds Recognizing SARS-CoV-2 Druggable Targets

(2021) Isabella Romeo et al.   MOLECULES

Factual insights of the allosteric inhibition mechanism of SARS-CoV-2 main protease by quercetin: an in silico analysis

(2021) Shalja Verma et al.   3 Biotech

Computational Determination of Potential Multiprotein Targeting Natural Compounds for Rational Drug Design Against SARS-COV-2

(2021) Ziyad Tariq Muhseen et al.   MOLECULES

Demographic Characteristics of Persons Vaccinated During the First Month of the COVID-19 Vaccination Program — United States, December 14, 2020–January 14, 2021

(2021) Elizabeth M. Painter et al.   MMWR-MORBIDITY AND MORTALITY WEEKLY REPORT

A Review on Structure, Modifications and Structure-Activity Relation of Quercetin and Its Derivatives

(2020) Rubin Thapa Magar et al.   JOURNAL OF MICROBIOLOGY AND BIOTECHNOLOGY

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

(2020) Linlin Zhang et al.   SCIENCE

Structural stability of SARS-CoV-2 3CLpro and identification of quercetin as an inhibitor by experimental screening

(2020) Olga Abian et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

SARS-CoV-2 Main Protease: A Molecular Dynamics Study

(2020) Dimas Suárez et al.   Journal of Chemical Information and Modeling

Crowdsourcing drug discovery for pandemics

(2020) John Chodera et al.   Nature Chemistry

Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-protease

(2020) Shivanika C et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Rutin as a Promising Inhibitor of Main Protease and Other Protein Targets of COVID-19: In Silico Study

(2020) Ateeq Ahmed Al-Zahrani   Natural Product Communications

Potential bioactive glycosylated flavonoids as SARS-CoV-2 main protease inhibitors: A molecular docking and simulation studies

(2020) Sabri Ahmed Cherrak et al.   PLoS One

Identification of 14 Known Drugs as Inhibitors of the Main Protease of SARS-CoV-2

(2020) Mohammad M. Ghahremanpour et al.   ACS Medicinal Chemistry Letters

Drug binding dynamics of the dimeric SARS-CoV-2 main protease, determined by molecular dynamics simulation

(2020) Teruhisa S. Komatsu et al.   Scientific Reports

Discovery of Potential Flavonoid Inhibitors Against COVID-19 3CL Proteinase Based on Virtual Screening Strategy

(2020) Zhongren Xu et al.   Frontiers in Molecular Biosciences

Dual inhibition of SARS-CoV-2 spike and main protease through a repurposed drug, rutin

(2020) Anchala Kumari et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

In silico studies evidenced the role of structurally diverse plant secondary metabolites in reducing SARS-CoV-2 pathogenesis

(2020) Hariprasad Puttaswamy et al.   Scientific Reports

Ligand-based design identifies a potent NUPR1 inhibitor exerting anticancer activity via necroptosis

(2019) Patricia Santofimia-Castaño et al.   JOURNAL OF CLINICAL INVESTIGATION

Quercetin and its derivative Q2 modulate chromatin dynamics in adipogenesis and Q2 prevents obesity and metabolic disorders in rats

(2019) Immacolata Cristina Nettore et al.   JOURNAL OF NUTRITIONAL BIOCHEMISTRY

Characteristics of flavonoids as potent MERS‐CoV 3C‐like protease inhibitors

(2019) Seri Jo et al.   Chemical Biology & Drug Design

Structure‐Activity Relationships Analysis of Monomeric and Polymeric Polyphenols (Quercetin, Rutin and Catechin) Obtained by Various Polymerization Methods

(2019) Malgorzata Latos‐Brozio et al.   CHEMISTRY & BIODIVERSITY

Identifying potential novel drugs against Helicobacter pylori by targeting the essential response regulator HsrA

(2019) Andrés González et al.   Scientific Reports

Stereoselective and domain-specific effects of ibuprofen on the thermal stability of human serum albumin

(2018) Alexa Guglielmelli et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

CASTp 3.0: computed atlas of surface topography of proteins

(2018) Wei Tian et al.   NUCLEIC ACIDS RESEARCH

Redox- and Ligand Binding-Dependent Conformational Ensembles in the Human Apoptosis-Inducing Factor Regulate Its Pro-Life and Cell Death Functions

(2018) Raquel Villanueva et al.   ANTIOXIDANTS & REDOX SIGNALING

New insights for the use of quercetin analogs in cancer treatment

(2017) Domenico Iacopetta et al.   Future Medicinal Chemistry

Rutin, a Quercetin Glycoside, Restores Chemosensitivity in Human Breast Cancer Cells

(2017) Marcello Iriti et al.   PHYTOTHERAPY RESEARCH

Intrinsically disordered chromatin protein NUPR1 binds to the C-terminal region of Polycomb RING1B

(2017) Patricia Santofimia-Castaño et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Rutin: A review on extraction, identification and purification methods, biological activities and approaches to enhance its bioavailability

(2017) Beatriz Gullón et al.   TRENDS IN FOOD SCIENCE & TECHNOLOGY

Enhancement of Solubility and Bioavailability of Quercetin by Inclusion Complexation with the Cavity of Mono-6-deoxy-6-aminoethylamino-β-cyclodextrin

(2017) Kyeong Hui Park et al.   BULLETIN OF THE KOREAN CHEMICAL SOCIETY

Identification of a Drug Targeting an Intrinsically Disordered Protein Involved in Pancreatic Adenocarcinoma

(2017) José L. Neira et al.   Scientific Reports

Determinants of the pKa values of ionizable residues in an intrinsically disordered protein

(2016) José L. Neira et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Inhibition of Pig Phosphoenolpyruvate Carboxykinase Isoenzymes by 3-Mercaptopicolinic Acid and Novel Inhibitors

(2016) Jorge Hidalgo et al.   PLoS One

Folded conformations due to arene interactions in dissymmetric and symmetric butylidene-linker models based on pyrazolo[3,4-d]pyrimidine, purine and 7-deazapurine

(2014) Kamlakar Avasthi et al.   Acta Crystallographica Section C-Structural Chemistry

Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings

(2013) Hyun Lee et al.   BIOORGANIC & MEDICINAL CHEMISTRY

A review on plant-based rutin extraction methods and its pharmacological activities

(2013) Lee Suan Chua   JOURNAL OF ETHNOPHARMACOLOGY

Allosteric Inhibitors of the NS3 Protease from the Hepatitis C Virus

(2013) Olga Abian et al.   PLoS One

Flavonoid-mediated inhibition of SARS coronavirus 3C-like protease expressed in Pichia pastoris

(2012) Thi Thanh Hanh Nguyen et al.   BIOTECHNOLOGY LETTERS

Dynamics and Binding Affinity of Spin-Labeled Stearic Acids in β-Lactoglobulin: Evidences from EPR Spectroscopy and Molecular Dynamics Simulation

(2012) Rita Guzzi et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Rethinking the term “pi-stacking”

(2012) Chelsea R. Martinez et al.   Chemical Science

Solubility and solution thermodynamic properties of quercetin and quercetin dihydrate in subcritical water

(2010) Keerthi Srinivas et al.   JOURNAL OF FOOD ENGINEERING

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

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

The synthesis of a water-soluble derivative of rutin as an antiradical agent

(2009) Carla Aparecida Pedriali et al.   QUIMICA NOVA