Synthesis, crystal structure, computational study and anti-virus effect of mixed ligand copper (II) complex with ONS donor Schiff base and 1, 10-phenanthroline

Molecular Docking Identification for the efficacy of Some Zinc Complexes with Chloroquine and Hydroxychloroquine against Main Protease of COVID-19

(2021) R.K. Hussein et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural characterization and biological activity of a new metal complexes based of Schiff base

(2021) Ola A. El-Gammal et al.   JOURNAL OF MOLECULAR LIQUIDS

Remdesivir and chloroquine effectively inhibit the recently emerged novel coronavirus (2019-nCoV) in vitro

(2020) Manli Wang et al.   CELL RESEARCH

Epidemiological and clinical characteristics of 99 cases of 2019 novel coronavirus pneumonia in Wuhan, China: a descriptive study

(2020) Nanshan Chen et al.   LANCET

Therapeutic options for the 2019 novel coronavirus (2019-nCoV)

(2020) Guangdi Li et al.   NATURE REVIEWS DRUG DISCOVERY

Early Transmission Dynamics in Wuhan, China, of Novel Coronavirus–Infected Pneumonia

(2020) Qun Li et al.   NEW ENGLAND JOURNAL OF MEDICINE

Comparative therapeutic efficacy of remdesivir and combination lopinavir, ritonavir, and interferon beta against MERS-CoV

(2020) Timothy P. Sheahan et al.   Nature Communications

Of chloroquine and COVID-19

(2020) Franck Touret et al.   ANTIVIRAL RESEARCH

Identification of potential molecules against COVID-19 main protease through structure-guided virtual screening approach

(2020) Lovika Mittal et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

(2020) Subramanian Boopathi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Synthesis, characterizations, crystal structures, and theoretical studies of copper(II) and nickel(II) coordination complexes

(2020) Bharti Mohan et al.   JOURNAL OF COORDINATION CHEMISTRY

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

(2020) Zhenming Jin et al.   NATURE

Estimating clinical severity of COVID-19 from the transmission dynamics in Wuhan, China

(2020) Joseph T. Wu et al.   NATURE MEDICINE

Aerosol and Surface Stability of SARS-CoV-2 as Compared with SARS-CoV-1

(2020) Neeltje van Doremalen et al.   NEW ENGLAND JOURNAL OF MEDICINE

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

(2020) Linlin Zhang et al.   SCIENCE

Breakthrough: Chloroquine phosphate has shown apparent efficacy in treatment of COVID-19 associated pneumonia in clinical studies

(2020) Jianjun Gao et al.   BioScience Trends

Anti-COVID drugs: repurposing existing drugs or search for new complex entities, strategies and perspectives

(2020) Anna Pawełczyk et al.   Future Medicinal Chemistry

Amantadine copper(II) chloride conjugate with possible implementation in influenza virus inhibition

(2020) C.N. Banti et al.   POLYHEDRON

Titanium (IV) complexes of some tetra‐dentate symmetrical bis‐Schiff bases of 1,6‐hexanediamine: Synthesis, characterization, and in silico prediction of potential inhibitor against coronavirus (SARS‐CoV‐2)

(2020) Mohammad Nasir Uddin et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design

(2020) Franz-Josef Meyer-Almes   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Structural stability of the SARS-CoV-2 main protease: Can metal ions affect function?

(2020) John J. Kozak et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

Chloroquine and hydroxychloroquine inhibitors for COVID-19 sialic acid cellular receptor: Structure, hirshfeld atomic charge analysis and solvent effect

(2020) Tariq A. Altalhi et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, anti-bacterial evaluation, DFT study and molecular docking as a potential 3-chymotrypsin-like protease (3CLpro) of SARS-CoV-2 inhibitors of a novel Schiff bases

(2020) Ahmed S.M. Al-Janabi et al.   JOURNAL OF MOLECULAR STRUCTURE

Is copper beneficial for COVID-19 patients?

(2020) Syamal Raha et al.   MEDICAL HYPOTHESES

Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein

(2020) Seema A. Kulkarni et al.   JOURNAL OF MOLECULAR STRUCTURE

Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors

(2020) Kalyan Ghosh et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors

(2020) Wesley B. Cardoso et al.   JOURNAL OF MOLECULAR STRUCTURE

Evaluation of the hepatocyte-derived cell line BFH12 as an in vitro model for bovine biotransformation

(2019) Alexander Gleich et al.   CYTOTECHNOLOGY

Syntheses, characterizations, crystal structures and efficient NLO applications of new organic compounds bearing 2-methoxy-4-nitrobenzeneamine moiety and copper (II) complex of (E)-N'-(3, 5-dichloro-2-hydroxybenzylidene) benzohydrazide

(2019) Bharti Mohan et al.   JOURNAL OF MOLECULAR STRUCTURE

Electrochemical Preparation of Synergistic Nanoantimicrobials

(2019) Maria Chiara Sportelli et al.   MOLECULES

Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone

(2018) Tahmeena Khan et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

DFT study of the acid-catalyzed esterification reaction mechanism of methanol with carboxylic acid and its halide derivatives

(2017) Monsurat M. Lawal et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

A BOILED-Egg To Predict Gastrointestinal Absorption and Brain Penetration of Small Molecules

(2016) Antoine Daina et al.   ChemMedChem

Synthesis, crystal structure analysis, spectral investigations, DFT computations, Biological activities and molecular docking of methyl(2E)-2-{[N-(2-formylphenyl)(4-methylbenzene) sulfonamido]methyl}-3-(4-fluorophenyl)prop-2-enoate, a potential bioactive agent

(2016) S. Murugavel et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular Docking and Structure-Based Drug Design Strategies

(2015) Leonardo Ferreira et al.   MOLECULES

Vibrational frequency analysis, FT-IR and Laser-Raman spectra, DFT studies on ethyl (2E)-2-cyano-3-(4-methoxyphenyl)-acrylate

(2014) Yusuf Sert et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Square pyramidal copper(II) complexes with forth generation fluoroquinolone and neutral bidentate ligand: Structure, antibacterial, SOD mimic and DNA-interaction studies

(2009) Mohan N. Patel et al.   BIOORGANIC & MEDICINAL CHEMISTRY

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS