Discovery of Camptothecin Based Topoisomerase I Inhibitors: Identification Using an Atom Based 3D-QSAR, Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach

Sanal Dev; Sunil Dhaneshwar; Bijo Mathew

doi:10.2174/1386207319666160810154346

Discovery of Camptothecin Based Topoisomerase I Inhibitors: Identification Using an Atom Based 3D-QSAR, Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207319666160810154346 ◽

2016 ◽

Vol 19 (9) ◽

pp. 752-763 ◽

Cited By ~ 4

Author(s):

Sanal Dev ◽

Sunil Dhaneshwar ◽

Bijo Mathew

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Topoisomerase I ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Topoisomerase I Inhibitors ◽

Docking Approach

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Ligand-based Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Discovery of Potential Topoisomerase I Inhibitors

Computational and Structural Biotechnology Journal ◽

10.1016/j.csbj.2019.02.006 ◽

2019 ◽

Vol 17 ◽

pp. 291-310 ◽

Cited By ~ 27

Author(s):

Sourav Pal ◽

Vinay Kumar ◽

Biswajit Kundu ◽

Debomita Bhattacharya ◽

Nagothy Preethy ◽

...

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Topoisomerase I ◽

Pharmacophore Modeling ◽

Docking Studies ◽

Molecular Docking Studies ◽

Topoisomerase I Inhibitors

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Combined pharmacophore-guided 3D-QSAR, molecular docking, and virtual screening on bis-benzimidazoles and ter-benzimidazoles as DNA–topoisomerase I poisons

Structural Chemistry ◽

10.1007/s11224-018-1257-3 ◽

2019 ◽

Vol 30 (4) ◽

pp. 1185-1201 ◽

Cited By ~ 4

Author(s):

Upasana Issar ◽

Richa Arora ◽

Tripti Kumari ◽

Rita Kakkar

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Topoisomerase I ◽

3D Qsar ◽

Dna Topoisomerase I ◽

Dna Topoisomerase

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Combined pharmacophore-guided 3D-QSAR, molecular docking and molecular dynamics studies for evodiamine analogs as DNA topoisomerase I inhibitors

Journal of the Taiwan Institute of Chemical Engineers ◽

10.1016/j.jtice.2017.06.027 ◽

2017 ◽

Vol 78 ◽

pp. 81-95 ◽

Cited By ~ 4

Author(s):

Kairui Feng ◽

Yujie Ren ◽

Ren Li

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Topoisomerase I ◽

3D Qsar ◽

Dna Topoisomerase I ◽

Dna Topoisomerase ◽

Topoisomerase I Inhibitors

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Investigation of Phosphodiesterase 5A (PDE5A) Inhibitors by Pharmacophore Modeling, Virtual Screening and Molecular Docking Approach

Journal of Applied Pharmaceutical Science ◽

10.7324/japs.2017.70905 ◽

2017 ◽

Cited By ~ 1

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Pharmacophore Modeling ◽

Docking Approach

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A combined pharmacophore modeling, 3D QSAR, virtual screening, molecular docking, and ADME studies to identify potential HDAC8 inhibitors

Medicinal Chemistry Research ◽

10.1007/s00044-016-1652-5 ◽

2016 ◽

Vol 25 (11) ◽

pp. 2434-2450 ◽

Cited By ~ 2

Author(s):

Sudhan Debnath ◽

Tanusree Debnath ◽

Swapan Majumdar ◽

M. K. Arunasree ◽

Vema Aparna

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Hdac8 Inhibitors

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Corrigendum to “3D-QSAR-Based Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Identification of Tubulin Inhibitors with Potential Anticancer Activity”

BioMed Research International ◽

10.1155/2022/9761279 ◽

2022 ◽

Vol 2022 ◽

pp. 1-2

Author(s):

Salimeh Mirzaei ◽

Razieh Ghodsi ◽

Farzin Hadizadeh ◽

Amirhossein Sahebkar

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Anticancer Activity ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Docking Studies ◽

Molecular Docking Studies ◽

Tubulin Inhibitors

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The discovery of potential cyclin A/CDK2 inhibitors: a combination of 3D QSAR pharmacophore modeling, virtual screening, and molecular docking studies

Medicinal Chemistry Research ◽

10.1007/s00044-013-0571-y ◽

2013 ◽

Vol 22 (12) ◽

pp. 5832-5843 ◽

Cited By ~ 19

Author(s):

Abdulilah Ece ◽

Fatma Sevin

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

3D Qsar ◽

Cyclin A ◽

Pharmacophore Modeling ◽

Docking Studies ◽

Molecular Docking Studies

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Theoretical studies on benzimidazole and imidazo[1,2-a]pyridine derivatives as Polo-like kinase 1 (Plk1) inhibitors: Pharmacophore modeling, atom-based 3D-QSAR and molecular docking approach

Journal of Saudi Chemical Society ◽

10.1016/j.jscs.2014.03.007 ◽

2017 ◽

Vol 21 ◽

pp. S311-S321 ◽

Cited By ~ 1

Author(s):

Rajasekhar Chekkara ◽

Naresh Kandakatla ◽

Venkata Reddy Gorla ◽

Sobha Rani Tenkayala ◽

E Susithra

Keyword(s):

Molecular Docking ◽

3D Qsar ◽

Pharmacophore Modeling ◽

Theoretical Studies ◽

Pyridine Derivatives ◽

Docking Approach

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Pharmacophore- based virtual screening, 3D- QSAR, molecular docking approach for identification of potential dipeptidyl peptidase IV inhibitors

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2020.1750485 ◽

2020 ◽

pp. 1-23

Author(s):

Bhumi M. Shah ◽

Palmi Modi ◽

Priti Trivedi

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

3D Qsar ◽

Dipeptidyl Peptidase ◽

Dipeptidyl Peptidase Iv ◽

Docking Approach ◽

Dipeptidyl Peptidase Iv Inhibitors

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Molecular docking approach on the Topoisomerase I inhibitors series included in the NCI anti-cancer agents mechanism database

Journal of Molecular Modeling ◽

10.1007/s00894-006-0159-2 ◽

2006 ◽

Vol 13 (3) ◽

pp. 393-400 ◽

Cited By ~ 15

Author(s):

Antonino Lauria ◽

Mario Ippolito ◽

Anna Maria Almerico

Keyword(s):

Molecular Docking ◽

Topoisomerase I ◽

Topoisomerase I Inhibitors ◽

Anti Cancer ◽

Docking Approach

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