Synthesis and characterization of novel copper(ii) complexes as potential drug candidates against SARS-CoV-2 main protease

Synthesis, characterization, DNA binding, and biological action of dimedone arylhydrazone chelates

(2022) Mohamed A. El‐Bindary et al.   APPLIED ORGANOMETALLIC CHEMISTRY

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

(2021) Bharti Mohan et al.   ChemistrySelect

Synthesis, characterization, catalytic, DNA binding and antibacterial activities of Co(II), Ni(II) and Cu(II) complexes with new Schiff base ligand

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

Synthesis, spectral characterization, DNA binding, catalytic and in vitro cytotoxicity of some metal complexes

(2021) Hala A. Kiwaan et al.   JOURNAL OF MOLECULAR LIQUIDS

Analysis of SARS-CoV-2 mutations in the United States suggests presence of four substrains and novel variants

(2021) Rui Wang et al.   Communications Biology

Molecular designing, crystal structure determination and in silico screening of copper(II) complexes bearing 8-hydroxyquinoline derivatives as anti-COVID-19

(2021) Arif Ali et al.   BIOORGANIC CHEMISTRY

Synthesis, characterization, DFT calculation, DNA binding and antimicrobial activities of metal complexes of dimedone arylhydrazone

(2021) Khlood S. Abou–Melha et al.   JOURNAL OF MOLECULAR LIQUIDS

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

Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4

(2021) Tunde L. Yusuf et al.   ACS Omega

Square Planar trans‐ N 2 O 2 Cu(II) Complex: Synthesis, Crystal Structure, Hirshfeld Surface, DFT, Antimicrobial and Docking Studies

(2021) Allampura H. Udaya Kumar et al.   ChemistrySelect

Computational Studies of Selected Transition Metal Complexes as Potential Drug Candidates against the SARS‐CoV‐2 Virus

(2021) Maynak Pal et al.   ChemistrySelect

Identification of SARS‐CoV‐2 Main Protease Inhibitors Using Structure Based Virtual Screening and Molecular Dynamics Simulation of DrugBank Database

(2021) Pradip Debnath et al.   ChemistrySelect

Target-based drug discovery, ADMET profiling and bioactivity studies of antibiotics as potential inhibitors of SARS-CoV-2 main protease (Mpro)

(2021) Misbaudeen Abdul-Hammed et al.   VirusDisease

Structural and theoretical investigations, Hirshfeld surface analysis and anti-SARS CoV-2 of nickel (II) coordination complex

(2021) Sunil Kumar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A novel manganese(II) bisthiocarbohydrazone complex: Crystal structures, Hirshfeld surface analysis, DFT and molecular docking study with SARS-CoV-2

(2021) K.K. Mohammed Hashim et al.   JOURNAL OF MOLECULAR STRUCTURE

COVID-19: In silico identification of potent α-ketoamide inhibitors targeting the main protease of the SARS-CoV-2

(2021) Mehdi Oubahmane et al.   JOURNAL OF MOLECULAR STRUCTURE

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

(2021) Bharti Mohan et al.   JOURNAL OF MOLECULAR STRUCTURE

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

(2020) Manli Wang et al.   CELL RESEARCH

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

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

Crystal structure of bis(2-hydroxy-6-((phenylimino)methyl)phenolato-κ2N,O)copper(II), C26H20CuN2O4

(2020) Sulaiman A. Olagboye et al.   ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES

COVID‐19 pneumonia treated with Sarilumab: a clinical series of eight patients

(2020) Maurizio Benucci et al.   JOURNAL OF MEDICAL VIROLOGY

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

(2020) Zhenming Jin et al.   NATURE

The proximal origin of SARS-CoV-2

(2020) Kristian G. Andersen et al.   NATURE MEDICINE

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

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

Structural basis for the inhibition of SARS-CoV-2 main protease by antineoplastic drug carmofur

(2020) Zhenming Jin et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

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

COVID-19 pathophysiology: A review

(2020) Koichi Yuki et al.   CLINICAL IMMUNOLOGY

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

(2020) C.N. Banti et al.   POLYHEDRON

Antiviral Peptides as Promising Therapeutics against SARS-CoV-2

(2020) Surid Mohammad Chowdhury et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Is copper beneficial for COVID-19 patients?

(2020) Syamal Raha et al.   MEDICAL HYPOTHESES

Two new copper(II) binuclear complexes with 2-[(E)-(pyridine-2yl-hydrazono)methyl]phenol: Molecular structures, quantum chemical calculations, cryomagnetic properties and catalytic activity

(2020) R.N. Patel et al.   POLYHEDRON

Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease

(2020) Lifeng Fu et al.   Nature Communications

Architectured Therapeutic and Diagnostic Nanoplatforms for Combating SARS-CoV-2: Role of Inorganic, Organic, and Radioactive Materials

(2020) Abhijeet Pandey et al.   ACS Biomaterials-Science & Engineering

Mixed ligand Cu(II) complexes: Square pyramidal vs trigonal bipyramidal with the pyrrole-based dipodal ligand having hydrogen bond acceptors

(2019) Rajnish Kumar et al.   JOURNAL OF MOLECULAR STRUCTURE

Pseudo-tetrahedral copper(II) complex derived from N'-[(2E,3Z)-4-hydroxy-4-phenylbut-3-en-2-ylidene]acetohydrazide: Synthesis, molecular structure, quantum chemical investigations, antioxidant and antiproliferative properties

(2019) Abhay Kumar Patel et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis and Anticancer Activity of [RuCl2(η6-arene)(aroylthiourea)] Complexes—High Activity against the Human Neuroblastoma (IMR-32) Cancer Cell Line

(2019) Srividya Swaminathan et al.   ACS Omega

Electronic and Structural Effects of Inner Sphere Coordination of Chloride to a Homoleptic Copper(II) Diimine Complex

(2018) Valentina Leandri et al.   INORGANIC CHEMISTRY

Syntheses, characterizations, crystal structures, antibacterial and SOD-like activities of nickel(II) and copper(II) complexes with 2-((Z)-(4-methoxyphenylimino)methyl)-4,6-dichlorophenol

(2018) Sulakshna Bharti et al.   JOURNAL OF COORDINATION CHEMISTRY

A Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Cu(II) complex with the 1,10-phenanthroline ligand

(2018) Wijdene Nbili et al.   JOURNAL OF COORDINATION CHEMISTRY

Syntheses, crystal structures, antioxidant SOD-like properties and in-vitro antimicrobial studies of Cu(II) and Ni (II) complexes with 2-(( E )-(4-bromo-2-chlorophenylimino) methyl)-6-bromo-4-nitrophenol and ( E )-1-(3, 5-dichloro-2-hydroxybenzylidene)-4, 4-dimethylthiosemicarbazide

(2018) Bharti Mohan et al.   JOURNAL OF MOLECULAR STRUCTURE

A square pyramidal copper(II) complex of a Schiff base ligand: synthesis, crystal structure, antibacterial and DNA interaction studies

(2016) Kalyanmoy Jana et al.   TRANSITION METAL CHEMISTRY

Crystal structure refinement withSHELXL

(2015) George M. Sheldrick   Acta Crystallographica Section C-Structural Chemistry

Mixed ligand copper(II) complexes of 2,9-dimethyl-1,10-phenanthroline: Tridentate 3N primary ligands determine DNA binding and cleavage and cytotoxicity

(2014) Mani Ganeshpandian et al.   JOURNAL OF INORGANIC BIOCHEMISTRY

WinGXandORTEP for Windows: an update

(2012) Louis J. Farrugia   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Interaction of mixed ligand copper(II) complexes with CT DNA and BSA: Effect of primary ligand hydrophobicity on DNA and protein binding and cleavage and anticancer activities

(2012) Mani Ganeshpandian et al.   POLYHEDRON

Biological activity and coordination modes of copper(ii) complexes of Schiff base-derived coumarin ligands

(2010) Bernadette Sarah Creaven et al.   DALTON TRANSACTIONS

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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

Hirshfeld surface analysis

(2008) Mark A. Spackman et al.   CRYSTENGCOMM

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

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