Design, synthesis, stereochemical determination, molecular docking study, in silico Pre-ADMET prediction and anti-proliferative activities of indole-pyrimidine derivatives as Mcl-1 inhibitors

Bioorganic Chemistry ◽

10.1016/j.bioorg.2021.105335 ◽

2021 ◽

pp. 105335

Author(s):

Phoebe F. Lamie ◽

John N. Philoppes

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Pyrimidine Derivatives ◽

Molecular Docking Study ◽

Design Synthesis

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Design, synthesis, biological evaluation and molecular docking study of novel thieno[3,2-d]pyrimidine derivatives as potent FAK inhibitors

European Journal of Medicinal Chemistry ◽

10.1016/j.ejmech.2019.112024 ◽

2020 ◽

Vol 188 ◽

pp. 112024 ◽

Author(s):

Ruifeng Wang ◽

Sijia Yu ◽

Xiangxin Zhao ◽

Yixuan Chen ◽

Bowen Yang ◽

...

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Biological Evaluation ◽

Pyrimidine Derivatives ◽

Molecular Docking Study ◽

Design Synthesis

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Anticholinesterase activities of novel indole-based hydrazide-hydrazone derivatives: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131398 ◽

2021 ◽

pp. 131398

Author(s):

Ebru Didem Coşar ◽

Efe Doğukan Dincel ◽

Sedanur Demiray ◽

Ece Sucularlı ◽

Ezgi Tüccaroğlu ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Molecular Docking Study ◽

Design Synthesis ◽

Adme Prediction ◽

In Silico Adme Prediction

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Novel N-thioamide analogues of pyrazolylpyrimidine based piperazine: Design, synthesis, characterization, in-silico molecular docking study and biological evaluation

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.08.018 ◽

2019 ◽

Vol 1175 ◽

pp. 551-565 ◽

Author(s):

Mayur K. Vekariya ◽

Dhaval B. Patel ◽

Pranav A. Pandya ◽

Rajesh H. Vekariya ◽

Prapti U. Shah ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Molecular Docking Study ◽

Design Synthesis ◽

In Silico Molecular Docking

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Antileishmanial activity of novel indolyl–coumarin hybrids: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2015.12.085 ◽

2016 ◽

Vol 26 (3) ◽

pp. 829-835 ◽

Author(s):

Jaiprakash N. Sangshetti ◽

Firoz A. Kalam Khan ◽

Abhishek A. Kulkarni ◽

Rajendra H. Patil ◽

Amol M. Pachpinde ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Antileishmanial Activity ◽

Molecular Docking Study ◽

Design Synthesis ◽

Adme Prediction ◽

In Silico Adme Prediction

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Antioxidant activity of novel imidazo[2,1-b]thiazole derivatives: Design, synthesis, biological evaluation, molecular docking study and in silico ADME prediction

Bioorganic Chemistry ◽

10.1016/j.bioorg.2020.104220 ◽

2020 ◽

Vol 103 ◽

pp. 104220 ◽

Author(s):

Efe Doğukan Dincel ◽

Elif Gürsoy ◽

Tugba Yilmaz-Ozden ◽

Nuray Ulusoy-Güzeldemirci

Keyword(s):

Antioxidant Activity ◽

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Biological Evaluation ◽

Thiazole Derivatives ◽

Molecular Docking Study ◽

Design Synthesis ◽

Adme Prediction ◽

In Silico Adme Prediction

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Design, Synthesis and In Silico Molecular Docking Study of N-carbamoyl-6-oxo-1-phenyl-1, 6-dihydropyridine-3-carboxamide derivatives as Fibroblast growth factor 1 inhibitor

Research Journal of Pharmacy and Technology ◽

10.5958/0974-360x.2017.00447.4 ◽

2017 ◽

Vol 10 (8) ◽

pp. 2527

Author(s):

Prem Shankar Misra ◽

V. Ravichandiran ◽

M. Vijey Aanandhi

Keyword(s):

Molecular Docking ◽

Growth Factor ◽

Fibroblast Growth Factor ◽

In Silico ◽

Docking Study ◽

Fibroblast Growth ◽

Molecular Docking Study ◽

Design Synthesis ◽

In Silico Molecular Docking

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EVALUATION OF IN-SILICO ANTICANCER POTENTIAL OF PYRETHROIDS: A COMPARATIVE MOLECULAR DOCKING STUDY

10.3390/ecsoc-19-e012 ◽

2015 ◽

Author(s):

Manik Ghosh ◽

Kamal Kant ◽

Anoop Kumar ◽

Padma Behera ◽

Naresh Rangra ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Docking Study ◽

Molecular Docking Study

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Design, synthesis, anti-inflammatory assessment and molecular docking study of novel ketorolac analogues as potent anti-inflammatory agents targeting cyclooxygenase-2 enzyme

10.36295/asro.2020.232129 ◽

2020 ◽

Vol 23 (19) ◽

Author(s):

Farah AH. Kadhim ◽

Noor M. Mohammed ◽

Haider M. Badea Albadr

Keyword(s):

Molecular Docking ◽

Docking Study ◽

Cyclooxygenase 2 ◽

Molecular Docking Study ◽

Design Synthesis ◽

Anti Inflammatory

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Design, synthesis and molecular docking study of new purine derivatives as Aurora kinase inhibitors

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129843 ◽

2021 ◽

Vol 1229 ◽

pp. 129843

Author(s):

Mohamed E. Khalifa

Keyword(s):

Molecular Docking ◽

Kinase Inhibitors ◽

Aurora Kinase ◽

Docking Study ◽

Purine Derivatives ◽

Molecular Docking Study ◽

Design Synthesis ◽

Aurora Kinase Inhibitors

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Development of adamantane scaffold containing 1,3,4-thiadiazole derivatives: design, synthesis, anti-proliferative activity and molecular docking study targeting EGFR

Bioorganic Chemistry ◽

10.1016/j.bioorg.2021.104794 ◽

2021 ◽

pp. 104794

Author(s):

Mohammed M. S. Wassel ◽

Yousry A. Ammar ◽

Gameel A. M. Elhag Ali ◽

Amany Belal ◽

Ahmed B. M. Mehany ◽

...

Keyword(s):

Molecular Docking ◽

Proliferative Activity ◽

Docking Study ◽

Molecular Docking Study ◽

Design Synthesis ◽

Thiadiazole Derivatives

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