Related references
Note: Only part of the references are listed.Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach
Lovika Mittal et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)
Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro
Manli Wang et al.
CELL RESEARCH (2020)
Potential inhibitors against 2019-nCoV coronavirus M protease from clinically approved medicines
Xin Liu et al.
JOURNAL OF GENETICS AND GENOMICS (2020)
α-Ketoamides as Broad-Spectrum Inhibitors of Coronavirus and Enterovirus Replication: Structure-Based Design, Synthesis, and Activity Assessment
Linlin Zhang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2020)
Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study
Nanshan Chen et al.
LANCET (2020)
A new coronavirus associated with human respiratory disease in China
Fan Wu et al.
NATURE (2020)
A pneumonia outbreak associated with a new coronavirus of probable bat origin
Peng Zhou et al.
NATURE (2020)
Favipiravir, an anti-influenza drug against life-threatening RNA virus infections
Kimiyasu Shiraki et al.
PHARMACOLOGY & THERAPEUTICS (2020)
Diagnosis and treatment recommendations for pediatric respiratory infection caused by the 2019 novel coronavirus
Zhi-Min Chen et al.
WORLD JOURNAL OF PEDIATRICS (2020)
Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
Canrong Wu et al.
ACTA PHARMACEUTICA SINICA B (2020)
Bi-directional differentiation of single bronchioalveolar stem cells during lung repair
Kuo Liu et al.
CELL DISCOVERY (2020)
Current pharmacological treatments for COVID-19: What's next?
Cristina Scavone et al.
BRITISH JOURNAL OF PHARMACOLOGY (2020)
Repurposing of clinically approved drugs for treatment of coronavirus disease 2019 in a 2019-novel coronavirus-related coronavirus model
Hua-Hao Fan et al.
CHINESE MEDICAL JOURNAL (2020)
Broad Spectrum Antiviral Agent Niclosamide and Its Therapeutic Potential
Jimin Xu et al.
ACS INFECTIOUS DISEASES (2020)
Hydroxychloroquine and azithromycin as a treatment of COVID-19: results of an open-label non-randomized clinical trial
Philippe Gautret et al.
INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS (2020)
Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
Maria Bzowka et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2020)
Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds
Andre Fischer et al.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2020)
Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease
Wenhao Dai et al.
SCIENCE (2020)
Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors
Linlin Zhang et al.
SCIENCE (2020)
An orally bioavailable broad-spectrum antiviral inhibits SARS-CoV-2 in human airway epithelial cell cultures and multiple coronaviruses in mice
Timothy P. Sheahan et al.
SCIENCE TRANSLATIONAL MEDICINE (2020)
In Silico Exploration of the Molecular Mechanism of Clinically Oriented Drugs for Possibly Inhibiting SARS-CoV-2's Main Protease
Tien Huynh et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
A search for medications to treat COVID-19 via in silico molecular docking models of the SARS-CoV-2 spike glycoprotein and 3CL protease
Donald C. Hall et al.
TRAVEL MEDICINE AND INFECTIOUS DISEASE (2020)
Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov
Haiping Zhang et al.
INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES (2020)
Design and Ultrasound Assisted Synthesis of Novel 1,3,4-Oxadiazole Drugs for Anti-Cancer Activity
Priyanka Bhatt et al.
CHEMISTRYSELECT (2020)
Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors
Zhenming Jin et al.
NATURE (2020)
A systematic review on the ef ficacy and safety of chloroquine for the treatment of COVID-19
Andrea Cortegiani et al.
JOURNAL OF CRITICAL CARE (2020)
Microwave Assisted Synthesis and Antimicrobial Activity of Novel Pyrrolidine Derivatives
K. Sreekanth et al.
RUSSIAN JOURNAL OF GENERAL CHEMISTRY (2020)
Design, synthesis and biological evaluation of 2-(phenoxymethyl)-5-phenyl-1,3,4-oxadiazole derivatives as anti-breast cancer agents
K. Lakshmithendral et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2019)
1,2,3-Triazole-containing hybrids as potential anticancer agents: Current developments, action mechanisms and structure-activity relationships
Zhi Xu et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2019)
Design and Synthesis of Piperazine-Linked Imidazo[1,2-a]pyridine Derivatives as Potent Anticancer Agents
Madhusudhana Reddy Gangireddy et al.
CHEMISTRYSELECT (2019)
Novel halogenated pyrido[2,3-a]carbazoles with enhanced aromaticity as potent anticancer and antioxidant agents: rational design and microwave assisted synthesis
Munusamy Saravanabhavan et al.
NEW JOURNAL OF CHEMISTRY (2019)
Expeditious microwave-assisted synthesis and bio-evaluation of novel bis (trifluoromethyl) phenyl-triazole-pyridine hybrid analogues by the click chemistry approach
Anjali Jha et al.
RESEARCH ON CHEMICAL INTERMEDIATES (2018)
Rutin as a Potent Antioxidant: Implications for Neurodegenerative Disorders
Adaze Bijou Enogieru et al.
OXIDATIVE MEDICINE AND CELLULAR LONGEVITY (2018)
Antitumor, antioxidant and anti-inflammatory activities of kaempferol and its corresponding glycosides and the enzymatic preparation of kaempferol
Jingqiu Wang et al.
PLOS ONE (2018)
Design, Synthesis and Anticancer Evaluation of Oxa/Thiadiazolylhydrazones of Barbituric and Thiobarbituric Acid: A Collective In Vitro and In Silico Approach
Priyanka Bhatt et al.
CHEMISTRYSELECT (2018)
Molecular modeling and structure-activity relationships studies of bioisoster hybrids of N-acylhydrazone and furoxan groups on cruzain
Ricardo A. M. Serafim et al.
MEDICINAL CHEMISTRY RESEARCH (2017)
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina et al.
SCIENTIFIC REPORTS (2017)
Design, synthesis and MAO inhibitory activity of 2-(arylmethylidene)2,3-dihydro-l-benzofuran-3-one derivatives
Vishnu Nayak Badavath et al.
CHINESE CHEMICAL LETTERS (2017)
Monoamine Oxidase Inhibitory Activity of Ferulic Acid Amides: Curcumin-Based Design and Synthesis
Vishnu N. Badavath et al.
ARCHIV DER PHARMAZIE (2016)
Four Amino Acid Changes in HIV-2 Protease Confer Class-Wide Sensitivity to Protease Inhibitors
Dana N. Raugi et al.
JOURNAL OF VIROLOGY (2016)
Combretastatin A-4 analogues with benzoxazolone scaffold: Synthesis, structure and biological activity
Mariana S. Gerova et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2016)
An Overview of Severe Acute Respiratory Syndrome-Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy
Thanigaimalai Pillaiyar et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Recent Progress in the Development of HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS
Arun K. Ghosh et al.
JOURNAL OF MEDICINAL CHEMISTRY (2016)
Design and synthesis of new 2,5-disubstituted-1,3,4-oxadiazole analogues as anticancer agents
Mohit Agarwal et al.
MEDICINAL CHEMISTRY RESEARCH (2016)
Synthesis and antiviral activity of novel thioether derivatives containing 1,3,4-oxadiazole/thiadiazole and emodin moieties
Liangrun Dong et al.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS (2016)
Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design
Fenghua Wang et al.
SCIENTIFIC REPORTS (2016)
Monoamine Oxidase Inhibitory Activity of Novel Pyrazoline Analogues: Curcumin Based Design and Synthesis-II
Vishnu Nayak Badavath et al.
CHEMISTRYSELECT (2016)
Synthesis and evaluation of benzosuberone embedded with 1,3,4-oxadiazole, 1,3,4-thiadiazole and 1,2,4-triazole moieties as new potential anti proliferative agents
Bandi Yadagiri et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2015)
Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones
Badavath Vishnu Nayak et al.
BIOORGANIC CHEMISTRY (2015)
Anticancer Properties of a Novel Class of Tetrafluorinated Thalidomide Analogues
Shaunna L. Beedie et al.
MOLECULAR CANCER THERAPEUTICS (2015)
g_mmpbsa-A GROMACS Tool for High-Throughput MM-PBSA Calculations
Rashmi Kumari et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2014)
Monoamine oxidase inhibitory activity of 3,5-biaryl-4,5-dihydro-1H-pyrazole-l-carboxylate derivatives
B. Vishnu Nayak et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2013)
Pinocembrin: A Novel Natural Compound with Versatile Pharmacological and Biological Activities
Azhar Rasul et al.
BIOMED RESEARCH INTERNATIONAL (2013)
Hydroxychloroquine: From Malaria to Autoimmunity
Ilan Ben-Zvi et al.
CLINICAL REVIEWS IN ALLERGY & IMMUNOLOGY (2012)
Synthesis, biological evaluation, and molecular docking studies of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan moiety as potential anticancer agents
Xiao-Min Zhang et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2011)
Definition and testing of the GROMOS force-field versions 54A7 and 54B7
Nathan Schmid et al.
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS (2011)
A phase I study of zibotentan (ZD4054) in patients with metastatic, castrate-resistant prostate cancer
William R. Schelman et al.
INVESTIGATIONAL NEW DRUGS (2011)
Recent Advances and Future Perspectives of Triazole Analogs as Promising Antiviral Agents
Rajeev Kharb et al.
MINI-REVIEWS IN MEDICINAL CHEMISTRY (2011)
1,3,4-Oxadiazole: A Privileged Structure in Antiviral Agents
Z. Li et al.
MINI-REVIEWS IN MEDICINAL CHEMISTRY (2011)
Discovery of Phthalimides as Immunomodulatory and Antitumor Drug Prototypes
Claudia Pessoa et al.
CHEMMEDCHEM (2010)
Synthesis and anti-cancer activity of benzothiazole containing phthalimide on human carcinoma cell lines
Stanton Hon Lung Kok et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2008)
Structure-guided discovery of cyclin-dependent kinase inhibitors
Thierry O. Fischmann et al.
BIOPOLYMERS (2008)
The economic impact of SARS: How does the reality match the predictions?
Marcus Richard Keogh-Brown et al.
HEALTH POLICY (2008)
In vitro Antiviral Activity of some Novel Isatin Derivatives against HCV and SARS-CoV Viruses
P. Selvam et al.
INDIAN JOURNAL OF PHARMACEUTICAL SCIENCES (2008)
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation
Berk Hess et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)
Structures of two coronavirus main proteases: Implications for substrate binding and antiviral drug design
Xiaoyu Xue et al.
JOURNAL OF VIROLOGY (2008)
Cytotoxic Mannich bases of 6-(3-aryl-2-propenoyl)-2(3H)-benzoxazolones
Y. Ivanova et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2007)
A semiempirical free energy force field with charge-based desolvation
Ruth Huey et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
Structure-guided development of affinity probes for tyrosine kinases using chemical genetics
Jimmy A. Blair et al.
NATURE CHEMICAL BIOLOGY (2007)
Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor
Syaulan Yang et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors
Lu Zhou et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
GROMACS: Fast, flexible, and free
D Van der Spoel et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
Synthesis and evaluation of isatin derivatives as effective SARS coronavirus 3CL protease inhibitors
LR Chen et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2005)
Charge distribution in the water molecule - A comparison of methods
F Martin et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)
PRODRG:: a tool for high-throughput crystallography of protein-ligand complexes
AW Schüttelkopf et al.
ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY (2004)
Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K
P Mark et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Synthesis, antibacterial, antifungal and anti-HIV activities of norfloxacin Mannich bases
SN Pandeya et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2000)