pharmacophore screening Latest Research Papers

Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2

Molecular Diversity ◽

10.1007/s11030-021-10358-5 ◽

2022 ◽

Author(s):

Avinash Mishra ◽

Anurag S. Rathore

Keyword(s):

Rna Polymerase ◽

Rna Dependent Rna Polymerase ◽

Natural Origin ◽

Pharmacophore Screening ◽

Target Rna

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Structure based prediction of a novel GPR120 antagonist based on pharmacophore screening and molecular dynamics simulations

Computational and Structural Biotechnology Journal ◽

10.1016/j.csbj.2021.11.005 ◽

2021 ◽

Author(s):

Ajay Pal ◽

James F. Curtin ◽

Gemma K. Kinsella

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Pharmacophore Screening ◽

Dynamics Simulations

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Structure‐Based Pharmacophore Screening Coupled with QSAR Analysis Identified Potent Natural‐Product‐Derived IRAK‐4 Inhibitors

Molecular Informatics ◽

10.1002/minf.202100025 ◽

2021 ◽

pp. 2100025

Author(s):

Mohammad A. Khanfar

Keyword(s):

Natural Product ◽

Qsar Analysis ◽

Pharmacophore Screening

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Pharmacophore screening, molecular docking, ADMET prediction and MD simulations for identification of ALK and MEK potential dual inhibitors

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131066 ◽

2021 ◽

pp. 131066

Author(s):

Haoran Zhang ◽

Lichuan Zhang ◽

Chenglong Gao ◽

Rilei Yu ◽

Congmin Kang

Keyword(s):

Molecular Docking ◽

Md Simulations ◽

Dual Inhibitors ◽

Pharmacophore Screening

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Structure‐Based Drug Design (SBDD) and In Silico Pharmacophore Screening Enabled the Discovery of Small Organic Molecules and Peptides Modulators of Bla C, TEM‐1 and Amp C Beta Lactamases

The FASEB Journal ◽

10.1096/fasebj.2021.35.s1.04692 ◽

2021 ◽

Vol 35 (S1) ◽

Author(s):

Cristina Clement ◽

Janet Gonzalez ◽

Sheuli Zakia ◽

Manfred Philipp

Keyword(s):

Drug Design ◽

In Silico ◽

Organic Molecules ◽

Structure Based Drug Design ◽

Small Organic Molecules ◽

Beta Lactamases ◽

Pharmacophore Screening

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Exploiting Water Dynamics for Pharmacophore Screening

Methods in Molecular Biology - Protein-Ligand Interactions and Drug Design ◽

10.1007/978-1-0716-1209-5_13 ◽

2021 ◽

pp. 227-238

Author(s):

David Schaller ◽

Szymon Pach ◽

Marcel Bermudez ◽

Gerhard Wolber

Keyword(s):

Water Dynamics ◽

Pharmacophore Screening

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Identification of Adenosine Deaminase Inhibitors by Metal‐binding Pharmacophore Screening

ChemMedChem ◽

10.1002/cmdc.202000271 ◽

2020 ◽

Vol 15 (22) ◽

pp. 2151-2156

Author(s):

Rebecca N. Adamek ◽

Paul Ludford ◽

Stephanie M. Duggan ◽

Yitzhak Tor ◽

Seth M. Cohen

Keyword(s):

Adenosine Deaminase ◽

Metal Binding ◽

Pharmacophore Screening

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Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

10.1021/scimeetings.0c04990 ◽

2020 ◽

Author(s):

Cristina C Clement

Keyword(s):

Drug Design ◽

In Silico ◽

Organic Molecules ◽

Structure Based Drug Design ◽

Small Organic Molecules ◽

Beta Lactamases ◽

Biochemical Validation ◽

Pharmacophore Screening ◽

Screening Approaches

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Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

10.1021/scimeetings.0c06072 ◽

2020 ◽

Author(s):

Cristina C Clement

Keyword(s):

Drug Design ◽

In Silico ◽

Organic Molecules ◽

Structure Based Drug Design ◽

Small Organic Molecules ◽

Beta Lactamases ◽

Biochemical Validation ◽

Pharmacophore Screening ◽

Screening Approaches

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Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

10.1021/scimeetings.0c04989 ◽

2020 ◽

Author(s):

Cristina C Clement

Keyword(s):

Drug Design ◽

In Silico ◽

Organic Molecules ◽

Structure Based Drug Design ◽

Small Organic Molecules ◽

Beta Lactamases ◽

Biochemical Validation ◽

Pharmacophore Screening ◽

Screening Approaches

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pharmacophore screening
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2

Structure based prediction of a novel GPR120 antagonist based on pharmacophore screening and molecular dynamics simulations

Structure‐Based Pharmacophore Screening Coupled with QSAR Analysis Identified Potent Natural‐Product‐Derived IRAK‐4 Inhibitors

Pharmacophore screening, molecular docking, ADMET prediction and MD simulations for identification of ALK and MEK potential dual inhibitors

Structure‐Based Drug Design (SBDD) and In Silico Pharmacophore Screening Enabled the Discovery of Small Organic Molecules and Peptides Modulators of Bla C, TEM‐1 and Amp C Beta Lactamases

Exploiting Water Dynamics for Pharmacophore Screening

Identification of Adenosine Deaminase Inhibitors by Metal‐binding Pharmacophore Screening

Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

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pharmacophore screeningRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Pharmacophore screening to identify natural origin compounds to target RNA-dependent RNA polymerase (RdRp) of SARS-CoV2

Structure based prediction of a novel GPR120 antagonist based on pharmacophore screening and molecular dynamics simulations

Structure‐Based Pharmacophore Screening Coupled with QSAR Analysis Identified Potent Natural‐Product‐Derived IRAK‐4 Inhibitors

Pharmacophore screening, molecular docking, ADMET prediction and MD simulations for identification of ALK and MEK potential dual inhibitors

Structure‐Based Drug Design (SBDD) and In Silico Pharmacophore Screening Enabled the Discovery of Small Organic Molecules and Peptides Modulators of Bla C, TEM‐1 and Amp C Beta Lactamases

Exploiting Water Dynamics for Pharmacophore Screening

Identification of Adenosine Deaminase Inhibitors by Metal‐binding Pharmacophore Screening

Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

Structure-based drug design (SBDD) and in silico pharmacophore screening approaches coupled with biochemical validation enabled the discovery of small organic molecules modulators of Y-49, TEM-1 and ampC beta lactamases

pharmacophore screening
Recently Published Documents