SAR and QSAR in Environmental Research
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1295

(FIVE YEARS 150)

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43

(FIVE YEARS 7)

Published By Informa Uk (Taylor & Francis)

1029-046x, 1062-936x

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Applying comparative molecular modelling techniques on diverse hydroxamate-based HDAC2 inhibitors: an attempt to identify promising structural features for potent HDAC2 inhibition

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.2013317 ◽

2022 ◽

pp. 1-22

Author(s):

V. Yadav ◽

S. Banerjee ◽

S.K. Baidya ◽

N. Adhikari ◽

T. Jha

Keyword(s):

Molecular Modelling ◽

Structural Features ◽

Modelling Techniques

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Ranked binding energies of residues and data fusion to identify the active and selective pyrimidine-based Janus kinases 3 (JAK3) inhibitors

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.2013318 ◽

2021 ◽

pp. 1-12

Author(s):

M. Gholamhoseinnia ◽

M. Asadollahi-Baboli

Keyword(s):

Data Fusion ◽

Binding Energies ◽

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CORAL: Monte Carlo based global QSAR modelling of Bruton tyrosine kinase inhibitors using hybrid descriptors

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.2003429 ◽

2021 ◽

Vol 32 (12) ◽

pp. 1013-1031

Author(s):

S. Ahmadi ◽

S. Lotfi ◽

S. Afshari ◽

P. Kumar ◽

E. Ghasemi

Keyword(s):

Monte Carlo ◽

Tyrosine Kinase ◽

Tyrosine Kinase Inhibitors ◽

Kinase Inhibitors ◽

Qsar Modelling ◽

Bruton Tyrosine Kinase

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Theoretically exploring selective-binding mechanisms of BRD4 through integrative computational approaches

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1999317 ◽

2021 ◽

pp. 1-27

Author(s):

D. Luo ◽

J.B. Tong ◽

X.C. Xiao ◽

S. Bian ◽

X. Zhang ◽

...

Keyword(s):

Selective Binding ◽

Computational Approaches ◽

Binding Mechanisms

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Discovery of Zafirlukast as a novel SARS-CoV-2 helicase inhibitor using in silico modelling and a FRET-based assay

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1993995 ◽

2021 ◽

pp. 1-21

Author(s):

N. Mehyar ◽

A. Mashhour ◽

I. Islam ◽

H.A. Alhadrami ◽

A.M. Tolah ◽

...

Keyword(s):

In Silico ◽

In Silico Modelling

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First molecular modelling report on tri-substituted pyrazolines as phosphodiesterase 5 (PDE5) inhibitors through classical and machine learning based multi-QSAR analysis

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1989721 ◽

2021 ◽

pp. 1-23

Author(s):

S. Nandi ◽

P. Kumar ◽

S.A. Amin ◽

T. Jha ◽

S. Gayen

Keyword(s):

Machine Learning ◽

Molecular Modelling ◽

Pde5 Inhibitors ◽

Qsar Analysis ◽

Phosphodiesterase 5

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Investigating potency of TMC-126 against wild-type and mutant variants of HIV-1 protease: a molecular dynamics and free energy study

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1999318 ◽

2021 ◽

Vol 32 (11) ◽

pp. 941-962

Author(s):

M.F. Sk ◽

S. Haridev ◽

R. Roy ◽

P. Kar

Keyword(s):

Molecular Dynamics ◽

Free Energy ◽

Wild Type ◽

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Suggestion of active 3-chymotrypsin like protease (3CLPro) inhibitors as potential anti-SARS-CoV-2 agents using predictive QSAR model based on the combination of ALASSO with an ANN model

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1975167 ◽

2021 ◽

pp. 1-26

Author(s):

Z. Mozafari ◽

M. Arab Chamjangali ◽

M. Arashi ◽

N. Goudarzi

Keyword(s):

Ann Model ◽

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A robust classification-dependent multi-molecular modelling study on some biphenyl sulphonamide based MMP-8 inhibitors

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1976831 ◽

2021 ◽

Vol 32 (10) ◽

pp. 835-861

Author(s):

S. Guti ◽

S.K. Baidya ◽

S. Banerjee ◽

N. Adhikari ◽

T. Jha

Keyword(s):

Molecular Modelling ◽

Robust Classification ◽

Modelling Study

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Structure based designing of thiazolidinone-pyrimidine derivatives as ERK2 inhibitors: Synthesis and in vitro evaluation

SAR and QSAR in Environmental Research ◽

10.1080/1062936x.2021.1973094 ◽

2021 ◽

pp. 1-24

Author(s):

S. Pathania ◽

P.K. Singh ◽

R.K. Narang ◽

R.K. Rawal

Keyword(s):

Pyrimidine Derivatives ◽

In Vitro Evaluation

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