Crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking studies on pyridine derivatives as potential inhibitors of NAMPT

Pyridine Derivatives ◽

Molecular Docking Studies ◽

Potential Inhibitors

Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies and DFT calculations, and antioxidant activity of 2-oxo-1,2-dihydroquinoline-4-carboxylate derivatives

10.1016/j.molstruc.2019.03.103 ◽

2019 ◽

Vol 1188 ◽

pp. 255-268 ◽

Cited By ~ 11

Author(s):

Yassir Filali Baba ◽

Yusuf Sert ◽

Youssef Kandri Rodi ◽

Sonia Hayani ◽

Joel T. Mague ◽

...

Keyword(s):

Crystal Structure ◽

Antioxidant Activity ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Hirshfeld Surface ◽

Crystal structure, Hirshfeld surface analysis, DFT and molecular docking studies on benzohydrazide derivatives as potential inhibitors of prostate cancer

Chemical Data Collections ◽

10.1016/j.cdc.2020.100350 ◽

2020 ◽

Vol 26 ◽

pp. 100350

Author(s):

H.A. Arjun ◽

Ravi Kumar Rajan ◽

R. Elancheran ◽

M. Ramanathan ◽

Atanu Bhattacharjee ◽

...

Keyword(s):

Crystal Structure ◽

Prostate Cancer ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Molecular Docking Studies ◽

Potential Inhibitors

New Tetrazoles compounds Incorporating Galactose moiety: synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, molecular docking studies, DFT calculations and anti-corrosion property anticipation

10.1016/j.molstruc.2021.131300 ◽

2021 ◽

pp. 131300

Author(s):

Riham Sghyar ◽

Yusuf Sert ◽

Brahim El Ibrahimi ◽

Oussama Moussaoui ◽

El Mestafa EL Hadrami ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Corrosion Property ◽

Hirshfeld Surface ◽

New alkyl (cyclohexyl) 2-oxo-1-(prop‑2-yn-1-yl)-1, 2-dihydroquinoline-4-carboxylates: Synthesis, crystal structure, spectroscopic characterization, hirshfeld surface analysis, molecular docking studies and DFT calculations

10.1016/j.molstruc.2020.129520 ◽

2021 ◽

Vol 1227 ◽

pp. 129520

Author(s):

Sonia Hayani ◽

Yusuf Sert ◽

Yassir Filali Baba ◽

Fouad Benhiba ◽

Fouad Ouazzani Chahdi ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Spectroscopic Characterization ◽

Docking Studies ◽

Hirshfeld Surface ◽

Synthesis, crystal structure, hirshfeld surface analysis, DFT calculations, anti-diabetic activity and molecular docking studies of (E)-N’-(5-bromo-2-hydroxybenzylidene) isonicotinohydrazide

10.1016/j.molstruc.2020.128800 ◽

2020 ◽

Vol 1221 ◽

pp. 128800 ◽

Cited By ~ 2

Author(s):

Khalid Karrouchi ◽

Saad Fettach ◽

Mukesh M. Jotani ◽

Abir Sagaama ◽

Smaail Radi ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Syntheses of N-substituted benzimidazolone derivatives: DFT calculations, Hirshfeld surface analysis, molecular docking studies and antibacterial activities

10.1016/j.molstruc.2019.127174 ◽

2020 ◽

Vol 1200 ◽

pp. 127174 ◽

Cited By ~ 2

Author(s):

Asmaa Saber ◽

Nada Kheira Sebbar ◽

Yusuf Sert ◽

Nabil Alzaqri ◽

Tuncer Hökelek ◽

...

Keyword(s):

Molecular Docking ◽

Dft Calculations ◽

Surface Analysis ◽

Antibacterial Activities ◽

Docking Studies ◽

Hirshfeld Surface ◽

Crystal structure, Hirshfeld surface analysis, and molecular docking studies of 3,3′-((4-(trifluoromethyl)phenyl) methylene)bis(1-methyl-1H-indole)

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2020.1852747 ◽

2021 ◽

Vol 714 (1) ◽

pp. 67-79

Author(s):

Varun Sharma ◽

Sanchari Begam ◽

Indrajit Karmakar ◽

Goutam Brahmachari ◽

Vivek Kumar Gupta

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Synthesis, X-ray crystal structure, Hirshfeld surface analysis, DFT, AIM, ELF, RDG and molecular docking studies of bis[4-(dimethylamino)pyridinium]di-µ-chlorido-bis[dichloridomercurate(II)]

Journal of Coordination Chemistry ◽

10.1080/00958972.2021.2006649 ◽

2021 ◽

pp. 1-20

Author(s):

Mouna Harzallah ◽

Mouna Medimagh ◽

Noureddine Issaoui ◽

Thierry Roisnel ◽

Ayed Brahim

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

X Ray ◽

2,4-bis(bromomethyl)-1,3,5-trimethylbenzene with 2-mercaptopyridine based derivative: Synthesis, Crystal Structure, in vitro anticancer activity, DFT, Hirshfeld Surface Analysis, Antioxidant, DNA binding and Molecular docking studies

10.1016/j.molstruc.2021.131981 ◽

2021 ◽

pp. 131981

Author(s):

Radhakrishnan Nandini Asha ◽

Caroline Daisy ◽

Nattamai Bhuvanesh ◽

Balasingh Ravindran Durai Nayagam

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dna Binding ◽

Anticancer Activity ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

New spiropyrrolothiazole derivatives bearing an oxazolone moiety as potential antidiabetic agent: Design, synthesis, crystal structure, Hirshfeld surface analysis, ADME and molecular docking studies

10.1016/j.molstruc.2022.132398 ◽

2022 ◽

pp. 132398

Author(s):

Manel Ben Hammouda ◽

Sarra Boudriga ◽

Khaled Hamden ◽

Moheddine Askri ◽

Michael Knorr ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Surface Analysis ◽

Docking Studies ◽

Hirshfeld Surface ◽

Antidiabetic Agent ◽

Design Synthesis ◽

Molecular Docking Studies ◽

Agent Design