4.5 Article

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Biochemistry & Molecular Biology

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study

Sourav Das et al.

Summary: This study used a blind molecular docking approach to identify potential inhibitors of the SARS-COV-2 main protease, with rutin showing the highest inhibitor efficiency. All studied molecules were able to bind to the active site of the main protease and were surrounded by other active site residues. Further wet-lab experimentation and clinical trials are needed for validation.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

Editorial Material Infectious Diseases

The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health - The latest 2019 novel coronavirus outbreak in Wuhan, China

David S. Hui et al.

INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES (2020)

Article Multidisciplinary Sciences

A new coronavirus associated with human respiratory disease in China

Fan Wu et al.

NATURE (2020)

News Item Biotechnology & Applied Microbiology

Coronavirus puts drug repurposing on the fast track

Charlotte Harrison

NATURE BIOTECHNOLOGY (2020)

Article Infectious Diseases

Lack of antiviral activity of darunavir against SARS-CoV-2

Sandra De Meyer et al.

INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES (2020)

Article Multidisciplinary Sciences

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Zhenming Jin et al.

NATURE (2020)

Article Chemistry, Multidisciplinary

Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients

Hai-xia Su et al.

ACTA PHARMACOLOGICA SINICA (2020)

Article Medicine, General & Internal

Effect of Remdesivir vs Standard Care on Clinical Status at 11 Days in Patients With Moderate COVID-19 A Randomized Clinical Trial

Christoph D. Spinner et al.

JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION (2020)

Article Biochemistry & Molecular Biology

Drug Repurposing for Candidate SARS-CoV-2 Main Protease Inhibitors by a NovelIn SilicoMethod

Milan Sencanski et al.

MOLECULES (2020)

Article Chemistry, Physical

Structure-based lead optimization of herbal medicine rutin for inhibiting SARS-CoV-2's main protease

Tien Huynh et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)

Letter Medical Informatics

A real-time dashboard of clinical trials for COVID-19

Kristian Thorlund et al.

LANCET DIGITAL HEALTH (2020)

Article Biochemistry & Molecular Biology

Flavonoids with inhibitory activity against SARS-CoV-2 3CLpro

Seri Jo et al.

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY (2020)

Review Pharmacology & Pharmacy

The Pharmacological Potential of Rutin

Aditya Ganeshpurkar et al.

SAUDI PHARMACEUTICAL JOURNAL (2017)

Review Virology

Flavonoids: promising natural compounds against viral infections

Hovakim Zakaryan et al.

ARCHIVES OF VIROLOGY (2017)

Article Chemistry, Medicinal

Role of Molecular Dynamics and Related Methods in Drug Discovery

Marco De Vivo et al.

JOURNAL OF MEDICINAL CHEMISTRY (2016)

Article Biochemical Research Methods

Computational protein-ligand docking and virtual drug screening with the AutoDock suite

Stefano Forli et al.

NATURE PROTOCOLS (2016)

Article Chemistry, Physical

ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

James A. Maier et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Biochemistry & Molecular Biology

Structural insights into the South African HIV-1 subtype C protease: impact of hinge region dynamics and flap flexibility in drug resistance

Previn Naicker et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2013)

Article Microbiology

Antibacterial, antifungal, and antiviral activities of some flavonoids

Didenn Deliorman Orhan et al.

MICROBIOLOGICAL RESEARCH (2010)

Article Chemistry, Multidisciplinary

AutoDock4 and AutoDockTools4: Automated Docking with Selective Receptor Flexibility

Garrett M. Morris et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

Article Biochemistry & Molecular Biology

H++:: a server for estimating pKas and adding missing hydrogens to macromolecules

JC Gordon et al.

NUCLEIC ACIDS RESEARCH (2005)

Article Chemistry, Multidisciplinary

Development and testing of a general amber force field

JM Wang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)

Article Chemistry, Multidisciplinary

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

A Jakalian et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)

Review Biotechnology & Applied Microbiology

Integration of virtual and high-throughput screening

F Bajorath

NATURE REVIEWS DRUG DISCOVERY (2002)

Article Chemistry, Multidisciplinary

Rate-limited steps of human oral absorption and QSAR studies

YH Zhao et al.

PHARMACEUTICAL RESEARCH (2002)