Heteroleptic metal(II) complexes of hydrotris(methimazolyl)borate and diimines: Synthesis, theoretical calculations, antimicrobial, antioxidant, in vitro cytotoxicity and molecular docking studies

2017 ◽  
Vol 109 ◽  
pp. 120-130 ◽  
Author(s):  
S. Jayakumar ◽  
D. Mahendiran ◽  
Dilaveez Rehana ◽  
A. Kalilur Rahiman
Keyword(s):  
Molecular Docking ◽  
Theoretical Calculations ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Studies

scholarly journals Synthesis of heteroannulated cyclopent[b]indoles: Exploration of in vitro cytotoxicity and molecular docking studies

2018 ◽  
Vol 48 (4) ◽  
pp. 447-461 ◽  
Author(s):  
Rajendran Satheeshkumar ◽  
Aathi Muthusankar ◽  
Lincy Edatt ◽  
V. B. Sameer Kumar ◽  
Hazel A. Sparkes ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Studies

Synthesis, characterization, in vitro cytotoxicity activity, and molecular docking studies of mononuclear and binuclear Macroacyclic Schiff base complexes

Polyhedron ◽  
2021 ◽  
pp. 115380
Author(s):  
Hassan Keypour ◽  
Fatemeh Forouzandeh ◽  
Saadat Hajari ◽  
Mahdi Jamshidi ◽  
Seyed Hamed Moazzami Farida ◽  
...  
Keyword(s):  
Schiff Base ◽  
Molecular Docking ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Schiff Base Complexes ◽  
Molecular Docking Studies ◽  
Cytotoxicity Activity

Synthesis of Novel Quin[1,2-b]Acridines: In Vitro Cytotoxicity and Molecular Docking Studies

2019 ◽  
pp. 1-15 ◽  
Author(s):  
Rajendran Satheeshkumar ◽  
Lincy Edatt ◽  
Aathi Muthusankar ◽  
V. B. Sameer Kumar ◽  
Karnam Jayarampillai Rajendra Prasad
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Studies

Steroidal pyrimidines: Synthesis, characterization, molecular docking studies with DNA and in vitro cytotoxicity

2013 ◽  
Vol 1045 ◽  
pp. 62-71 ◽  
Author(s):  
Shamsuzzaman ◽  
Ayaz Mahmood Dar ◽  
Zahid Yaseen ◽  
Khursheed Alam ◽  
Altaf Hussain ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Studies

Synthesis, in vitro cytotoxicity, ADME, and molecular docking studies of benzimidazole‐bearing furanone derivatives

2020 ◽  
Author(s):  
Asif Husain ◽  
Medha Bhutani ◽  
Shazia Parveen ◽  
Shah Alam Khan ◽  
Aftab Ahmad ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Studies

Furanone-functionalized benzothiazole derivatives: synthesis, in vitro cytotoxicity, ADME, and molecular docking studies

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Asif Husain ◽  
Silky Bedi ◽  
Shazia Parveen ◽  
Shah Alam Khan ◽  
Aftab Ahmad ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Cell Lines ◽  
Anticancer Agents ◽  
Human Cancer ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Standard Drug ◽  
Molecular Docking Studies ◽  
Benzothiazole Derivatives

Abstract In the present study, a novel series of new furanone-based benzothiazole derivatives (4a-j) were synthesized from 4-(benzo[d]thiazol-2-yl)-4-oxobutanoic acid (3) as potential anticancer agents. In vitro cytotoxicity against three human cancer cell lines (A549, MCF7, and DUI45) revealed substantial activity. Di-substituted compound, 4i emerged as a promising anticancer compound which showed IC50 values of 7.2 ± 0.5, 6.6 ± 1.4, and 7.3 ± 0.1 µM against A549, MCF7, and DUI45 cell lines, respectively. Four compounds 4c, 4e, 4f, and 4i evaluated for their acute toxicity were found to be non-toxic on the two vital organs (liver and heart). Further, these compounds were found to be more efficient and less hepatotoxic in comparison to standard drug doxorubicin. Molecular docking studies carried out with VEGFR-2 revealed compounds 4a and 4i as potential VEGFR-2 kinase inhibitors. In silico ADME evaluation was carried out to estimate and predict drug-likeness. Compound 4i demonstrated the best ADME parameters. Based on the results of docking analyses, ADME, and in vitro cytotoxicity, compound 4i is identified as the lead compound for further development of anticancer agents.

Synthesis of hetero annulated carbazoles: exploration of in vitro cytotoxicity and molecular docking studies

MedChemComm ◽  
2013 ◽  
Vol 4 (2) ◽  
pp. 450 ◽  
Author(s):  
Thangavel Indumathi ◽  
Aathi Muthusankar ◽  
P. Shanmughavel ◽  
K. J. Rajendra Prasad
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Studies

Steroidal imidazoles: Synthesis, characterization, molecular docking studies with DNA and in vitro cytotoxicity

2016 ◽  
Vol 26 (2) ◽  
pp. 372-383 ◽  
Author(s):  
Ayaz Mahmood Dar ◽  
Shams Uzzaman ◽  
Mir Shabeer Ahmad ◽  
Yusuf Khan
Keyword(s):  
Molecular Docking ◽  
Docking Studies ◽  
In Vitro Cytotoxicity ◽  
Molecular Docking Studies
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