Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Gargi Tiwari; Ambrish Kumar Srivastava; Ratnesh Kumar; Abhishek Kumar

doi:10.3233/mgc-180699

Quantum chemical and molecular docking studies on two potential hepatitis C virus inhibitors

Main Group Chemistry ◽

10.3233/mgc-180699 ◽

2019 ◽

Vol 18 (2) ◽

pp. 107-121

Author(s):

Gargi Tiwari ◽

Ambrish Kumar Srivastava ◽

Ratnesh Kumar ◽

Abhishek Kumar

Keyword(s):

Molecular Docking ◽

Hepatitis C Virus ◽

Hepatitis C ◽

Quantum Chemical ◽

Docking Studies ◽

Molecular Docking Studies

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ChemInform Abstract: 3D QSAR and Molecular Docking Studies of Benzimidazole Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors.

ChemInform ◽

10.1002/chin.200818210 ◽

2008 ◽

Vol 39 (18) ◽

Author(s):

Pallav D. Patel ◽

Maulik R. Patel ◽

Neerja Kaushik-Basu ◽

Tanaji T. Talele

Keyword(s):

Molecular Docking ◽

Hepatitis C Virus ◽

Hepatitis C ◽

3D Qsar ◽

Docking Studies ◽

Benzimidazole Derivatives ◽

Molecular Docking Studies ◽

Polymerase Inhibitors ◽

Ns5b Polymerase

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3D-QSAR and molecular docking studies on designing inhibitors of the hepatitis C virus NS5B polymerase

Journal of Molecular Structure ◽

10.1016/j.molstruc.2016.03.073 ◽

2016 ◽

Vol 1117 ◽

pp. 227-239 ◽

Cited By ~ 14

Author(s):

Wenlian Li ◽

Hongzong Si ◽

Yang Li ◽

Cuizhu Ge ◽

Fucheng Song ◽

...

Keyword(s):

Molecular Docking ◽

Hepatitis C Virus ◽

Hepatitis C ◽

3D Qsar ◽

Docking Studies ◽

Molecular Docking Studies ◽

Ns5b Polymerase

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Comparative Molecular Field Analysis and Molecular Docking Studies on Quinolinone Derivatives Indicate Potential Hepatitis C Virus Inhibitors

Cell Biochemistry and Biophysics ◽

10.1007/s12013-019-00867-4 ◽

2019 ◽

Vol 77 (2) ◽

pp. 139-156 ◽

Cited By ~ 2

Author(s):

Kullappan Malathi ◽

Sudha Ramaiah ◽

Anand Anbarasu

Keyword(s):

Molecular Docking ◽

Hepatitis C Virus ◽

Hepatitis C ◽

Docking Studies ◽

Field Analysis ◽

Molecular Field ◽

Comparative Molecular Field Analysis ◽

Molecular Docking Studies ◽

Molecular Field Analysis

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3D QSAR and Molecular Docking Studies of Benzimidazole Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors

Journal of Chemical Information and Modeling ◽

10.1021/ci700266z ◽

2007 ◽

Vol 48 (1) ◽

pp. 42-55 ◽

Cited By ~ 61

Author(s):

Pallav D. Patel ◽

Maulik R. Patel ◽

Neerja Kaushik-Basu ◽

Tanaji T. Talele

Keyword(s):

Molecular Docking ◽

Hepatitis C Virus ◽

Hepatitis C ◽

3D Qsar ◽

Docking Studies ◽

Benzimidazole Derivatives ◽

Molecular Docking Studies ◽

Polymerase Inhibitors ◽

Ns5b Polymerase

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Exploring the molecular structure, vibrational spectroscopic, quantum chemical calculation and molecular docking studies of curcumin: A potential PI3K/AKT uptake inhibitor

Heliyon ◽

10.1016/j.heliyon.2021.e06646 ◽

2021 ◽

Vol 7 (4) ◽

pp. e06646

Author(s):

M. Govindammal ◽

M. Prasath ◽

S. Kamaraj ◽

S. Muthu ◽

M. Selvapandiyan

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Quantum Chemical Calculation ◽

Quantum Chemical ◽

Docking Studies ◽

Chemical Calculation ◽

Uptake Inhibitor ◽

Molecular Docking Studies

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Quantitative structure-activity relationship and molecular docking studies of some series of imidazole derivatives as anti-hepatitis C drug

Bayero Journal of Pure and Applied Sciences ◽

10.4314/bajopas.v11i2.8 ◽

2019 ◽

Vol 11 (2) ◽

pp. 57

Author(s):

A.S. Bello ◽

A Uzairu ◽

G.A. Shallangwa ◽

A Ibrahim ◽

Y.A. Gatugel

Keyword(s):

Molecular Docking ◽

Hepatitis C ◽

Quantitative Structure Activity Relationship ◽

Structure Activity Relationship ◽

Docking Studies ◽

Activity Relationship ◽

Quantitative Structure ◽

Molecular Docking Studies ◽

Imidazole Derivatives ◽

Structure Activity

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Structural, Hirshfeld, spectroscopic, quantum chemical and molecular docking studies on 6b′, 7′, 8′, 9′-Tetrahydro-2H,6′H-spiro[acenaphthylene-1,11′-chromeno [3,4-a]pyrrolizine]-2,6′(6a′H,11a′H)-dione

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.127921 ◽

2020 ◽

Vol 1209 ◽

pp. 127921 ◽

Cited By ~ 1

Author(s):

S. Pangajavalli ◽

R. Ranjithkumar ◽

S. Ramaswamy

Keyword(s):

Molecular Docking ◽

Quantum Chemical ◽

Docking Studies ◽

Molecular Docking Studies

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Synthesis, molecular structure, quantum chemical analysis, spectroscopic and molecular docking studies of N-(Morpholinomethyl) succinimide using DFT method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.07.101 ◽

2019 ◽

Vol 1175 ◽

pp. 609-623 ◽

Cited By ~ 6

Author(s):

K. Sarojinidevi ◽

P. Subramani ◽

Mani Jeeva ◽

N. Sundaraganesan ◽

Maria SusaiBoobalan ◽

...

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Chemical Analysis ◽

Quantum Chemical ◽

Dft Method ◽

Docking Studies ◽

Quantum Chemical Analysis ◽

Molecular Docking Studies

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Synthesis, spectroscopic characterization, quantum chemical calculations, evaluation of biological and cytotoxic activities, and molecular docking studies of 2‐hydroxy‐N′‐(4,5,6‐trimethoxy‐2,3‐dihydro‐1H‐inden‐1‐ylidene) benzohydrazide and its Cu(II), Co(II), Ni(II), and Zn(II) complexes

Journal of the Chinese Chemical Society ◽

10.1002/jccs.201800465 ◽

2019 ◽

Vol 66 (12) ◽

pp. 1682-1699 ◽

Cited By ~ 3

Author(s):

Sharah A. A. Aldulmani ◽

Abdel‐Nasser M. A. Alaghaz

Keyword(s):

Molecular Docking ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Cytotoxic Activities ◽

Molecular Docking Studies

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Synthesis, characterization, ab initio quantum chemical calculations and molecular docking studies of Se bearing phenoxo-bridged bimetallic Ni(II) complexes

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128771 ◽

2020 ◽

Vol 1221 ◽

pp. 128771

Author(s):

Ashish Kumar Asatkar ◽

Vinay K. Verma ◽

Mridula Guin ◽

Preeti Jain ◽

R.J. Butcher

Keyword(s):

Molecular Docking ◽

Ab Initio ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Docking Studies ◽

Molecular Docking Studies

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