Quantum chemical calculations, spectroscopic properties and molecular docking studies of a novel piperazine derivative

Quantum Chemical ◽

Spectroscopic Properties ◽

Docking Studies ◽

Piperazine Derivative

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 ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Cytotoxic Activities ◽

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 ◽

Docking Studies ◽

Quantum chemical calculations, Hirshfeld surface analysis, and molecular docking studies of antibacterial (E)-N′-((1H-Indol-3-yl)methylene)-4-bromobenzohydrazide

Spectroscopy Letters ◽

10.1080/00387010.2019.1651339 ◽

2019 ◽

Vol 52 (7) ◽

pp. 398-412

Author(s):

Aslı Eşme

Keyword(s):

Molecular Docking ◽

Surface Analysis ◽

Quantum Chemical ◽

Docking Studies ◽

Hirshfeld Surface ◽

Hirshfeld Surface Analysis ◽

Synthesis, quantum chemical calculations and molecular docking studies of 2-ethoxy-4[(2-trifluromethyl-phenylimino)methyl]phenol

Molecular Physics ◽

10.1080/00268976.2020.1781945 ◽

2020 ◽

Vol 118 (24) ◽

pp. e1781945

Author(s):

Towseef Ahmad Hajam ◽

H. Saleem ◽

M. Syed Ali Padhusha ◽

K. K. Mohammed Ameen

Keyword(s):

Molecular Docking ◽

Quantum Chemical ◽

Docking Studies ◽

Spectroscopic investigations, quantum chemical calculations and molecular docking studies of Mangiferin - an anti-viral agent of H1N1 Influenza virus

Chemical Data Collections ◽

10.1016/j.cdc.2020.100580 ◽

2020 ◽

Vol 30 ◽

pp. 100580

Author(s):

Sathya Bangaru ◽

Prasath Manivannan ◽

S. Muthu

Keyword(s):

Influenza Virus ◽

Molecular Docking ◽

Quantum Chemical ◽

H1n1 Influenza ◽

Docking Studies ◽

Viral Agent ◽

H1n1 Influenza Virus ◽

Spectroscopic Investigations

Spectroscopic (FT-IR, FT-Raman) investigations, quantum chemical calculations, ADMET and molecular docking studies of phloretin with B-RAF inhibitor

Chemical Papers ◽

10.1007/s11696-021-01576-0 ◽

2021 ◽

Author(s):

M. Govindammal ◽

M. Prasath ◽

M. Selvapandiyan

Keyword(s):

Molecular Docking ◽

Quantum Chemical ◽

Docking Studies ◽

Ft Ir ◽

Ft Raman

Quantum chemical calculations and molecular docking studies of 5-(4-chlorobenzylidene)thiazolidine-2,4-dione(CTD) and its mannich product 5-(4-chlorobenzylidene)-3-(morpholinomethyl)thiazolidine-2,4-dione (CMTD)

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.12.051 ◽

2018 ◽

Vol 1157 ◽

pp. 177-190 ◽

Cited By ~ 1

Author(s):

Shaheen Fatma ◽

Abha Bishnoi ◽

Anil Kumar Verma ◽

Vineeta Singh ◽

Krishna Srivastava

Keyword(s):

Molecular Docking ◽

Quantum Chemical ◽

Docking Studies ◽

Synthesis, Quantum Chemical Calculations and Molecular Docking Studies, Biological and Anion Sensor Properties of (E)-4-[(4-ethoxy-phenylimino)methyl]-2-methoxyphenol

Croatica Chemica Acta ◽

10.5562/cca3316 ◽

2018 ◽

Vol 91 (3) ◽

Author(s):

Celal Tuğrul Zeyrek ◽

Hüseyin Ünver ◽

Bahadir Boyacioglu ◽

Neslihan Demir ◽

Gönül Yapar ◽

...

Keyword(s):

Molecular Docking ◽

Quantum Chemical ◽

Docking Studies ◽

Anion Sensor ◽

Sensor Properties

Vibrational and Hirshfeld surface analyses, quantum chemical calculations, and molecular docking studies of coumarin derivative 3-(1-m-toluidinoethylidene)-chromane-2,4-dione and its corresponding palladium(II) complex

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.127935 ◽

2020 ◽

Vol 1209 ◽

pp. 127935 ◽

Cited By ~ 1

Author(s):

Dejan Milenković ◽

Edina Avdović ◽

Dušan Dimić ◽

S. Sudha ◽

D. Ramarajan ◽

...

Keyword(s):

Molecular Docking ◽

Quantum Chemical ◽

Coumarin Derivative ◽

Docking Studies ◽

Hirshfeld Surface ◽

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 ◽