Pharmacophore modelling, virtual screening and molecular docking studies on PLD1 inhibitors

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2017.1393774 ◽

2017 ◽

Vol 28 (12) ◽

pp. 991-1009 ◽

Author(s):

D. K. Behera ◽

P. M. Behera ◽

L. Acharya ◽

A. Dixit

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Docking Studies ◽

Molecular Docking Studies ◽

Pharmacophore Modelling

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To Explore Compounds as Tuberculosis Inhibitors—A Combination of Pharmacophore Modelling, Virtual Screening and Molecular Docking Studies

Computational Advancement in Communication Circuits and Systems - Lecture Notes in Electrical Engineering ◽

10.1007/978-981-13-8687-9_33 ◽

2019 ◽

pp. 367-373

Author(s):

Indrani Sarkar ◽

Sanjay Goswami ◽

Paushali Majumder

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Docking Studies ◽

Molecular Docking Studies ◽

Pharmacophore Modelling

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The Discovery of Potentially Selective Human Neuronal Nitric Oxide Synthase (nNOS) Inhibitors: A Combination of Pharmacophore Modelling, CoMFA, Virtual Screening and Molecular Docking Studies

International Journal of Molecular Sciences ◽

10.3390/ijms15058553 ◽

2014 ◽

Vol 15 (5) ◽

pp. 8553-8569 ◽

Author(s):

Guanhong Xu ◽

Yue Chen ◽

Kun Shen ◽

Xiuzhen Wang ◽

Fei Li ◽

...

Keyword(s):

Nitric Oxide ◽

Molecular Docking ◽

Nitric Oxide Synthase ◽

Virtual Screening ◽

Neuronal Nitric Oxide Synthase ◽

Docking Studies ◽

Molecular Docking Studies ◽

Pharmacophore Modelling ◽

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Identification of potent virtual leads to design novel PLK1 inhibitors: pharmacophore modelling, virtual screening and molecular docking studies

Molecular Simulation ◽

10.1080/08927022.2012.758849 ◽

2013 ◽

Vol 39 (8) ◽

pp. 640-652 ◽

Author(s):

Lufen He ◽

Lu Zhou ◽

Taijin Wang ◽

Zicheng Li ◽

Xiangyang Tang

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Docking Studies ◽

Molecular Docking Studies ◽

Pharmacophore Modelling

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Identification of potential Gly/NMDA receptor antagonists by cheminformatics approach: a combination of pharmacophore modelling, virtual screening and molecular docking studies

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2015.1136679 ◽

2016 ◽

Vol 27 (2) ◽

pp. 125-145 ◽

Author(s):

V. G. Ugale ◽

S. B. Bari

Keyword(s):

Molecular Docking ◽

Nmda Receptor ◽

Virtual Screening ◽

Docking Studies ◽

Nmda Receptor Antagonists ◽

Receptor Antagonists ◽

Molecular Docking Studies ◽

Pharmacophore Modelling

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Virtual screening and molecular docking studies of certain lead-like compounds from ZINC15 database against COVID-19 Mpro enzyme

The Annals of Clinical and Analytical Medicine ◽

10.4328/acam.20389 ◽

2021 ◽

Vol 12 (Suppl 1) ◽

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Docking Studies ◽

Molecular Docking Studies

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Virtual screening, molecular docking studies and DFT calculations of FDA approved compounds similar to the non-nucleoside reverse transcriptase inhibitor (NNRTI) efavirenz

Heliyon ◽

10.1016/j.heliyon.2020.e04642 ◽

2020 ◽

Vol 6 (8) ◽

pp. e04642

Author(s):

Maryam A. Jordaan ◽

Oluwakemi Ebenezer ◽

Nkululeko Damoyi ◽

Michael Shapi

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Dft Calculations ◽

Reverse Transcriptase ◽

Nucleoside Reverse Transcriptase Inhibitor ◽

Transcriptase Inhibitor ◽

Docking Studies ◽

Molecular Docking Studies ◽

Reverse Transcriptase Inhibitor

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Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Discovery of Novel Akt2 Inhibitors

International Journal of Medical Sciences ◽

10.7150/ijms.5344 ◽

2013 ◽

Vol 10 (3) ◽

pp. 265-275 ◽

Author(s):

Jia Fei ◽

Lu Zhou ◽

Tao Liu ◽

Xiang-Yang Tang

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Pharmacophore Modeling ◽

Docking Studies ◽

Molecular Docking Studies

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Pharmacophore modeling, virtual screening, molecular docking studies and density functional theory approaches to identify novel ketohexokinase (KHK) inhibitors

10.1016/j.biosystems.2015.10.005 ◽

2015 ◽

Vol 138 ◽

pp. 39-52 ◽

Author(s):

Rengarajan Kavitha ◽

Subramanian Karunagaran ◽

Subramaniam Subhash Chandrabose ◽

Keun Woo Lee ◽

Chandrasekaran Meganathan

Keyword(s):

Density Functional Theory ◽

Molecular Docking ◽

Virtual Screening ◽

Density Functional ◽

Pharmacophore Modeling ◽

Docking Studies ◽

Functional Theory ◽

Molecular Docking Studies

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Identification of small molecule inhibitor of cyclophilin-A using high throughput virtual screening and molecular docking Studies

Nature Precedings ◽

10.1038/npre.2011.6529 ◽

2011 ◽

Author(s):

Pallapotu Navya ◽

I Vani Priyadarshini ◽

Amineni Umamaheswari

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Small Molecule ◽

High Throughput ◽

Cyclophilin A ◽

Small Molecule Inhibitor ◽

Docking Studies ◽

Molecular Docking Studies ◽

Molecule Inhibitor ◽

High Throughput Virtual Screening

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The Discovery of Potential MDM2 Inhibitors: A Combination of Pharmacophore Modeling, Virtual Screening, Molecular Docking Studies and In Vitro/In Vivo Biological Evaluation

ChemMedChem ◽

10.1002/cmdc.202100517 ◽

2021 ◽

Author(s):

Xuelin Zhang ◽

Chunqiao Zhou ◽

Yang Yang ◽

Hailin Liu ◽

Song Wang ◽

...

Keyword(s):

Molecular Docking ◽

Virtual Screening ◽

Pharmacophore Modeling ◽

Docking Studies ◽

Biological Evaluation ◽

Molecular Docking Studies

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