Towards to potential 2-cyano-pyrimidines cathepsin-K inhibitors: An in silico design and screening research based on comprehensive application of quantitative structure–activity relationships, molecular docking and ADMET prediction

Structure Activity ◽

Cathepsin K Inhibitors ◽

From Molecular Docking to 3D-Quantitative Structure-Activity Relationships (3D-QSAR): Insights into the Binding Mode of 5-Lipoxygenase Inhibitors

Molecular Informatics ◽

10.1002/minf.201100101 ◽

2012 ◽

Vol 31 (2) ◽

pp. 123-134 ◽

Cited By ~ 10

Author(s):

Gokcen Eren ◽

Antonio Macchiarulo ◽

Erden Banoglu

Keyword(s):

Molecular Docking ◽

3D Qsar ◽

Binding Mode ◽

Quantitative Structure ◽

Lipoxygenase Inhibitors ◽

Structure Activity ◽

Predicting anti-androgenic activity of bisphenols using molecular docking and quantitative structure-activity relationships

Chemosphere ◽

10.1016/j.chemosphere.2016.08.062 ◽

2016 ◽

Vol 163 ◽

pp. 373-381 ◽

Cited By ~ 23

Author(s):

Xianhai Yang ◽

Huihui Liu ◽

Qian Yang ◽

Jining Liu ◽

Jingwen Chen ◽

...

Keyword(s):

Molecular Docking ◽

Quantitative Structure ◽

Structure Activity ◽

Androgenic Activity ◽

Molecular Docking and Three‐Dimensional Quantitative Structure–Activity Relationships for Antitubercular Pyrimidine Derivatives

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2021.1885455 ◽

2021 ◽

pp. 1-14

Author(s):

Praveen M. Parkali ◽

A. Shyam Kumar ◽

Pohamba Johanna K ◽

Shilomboleni Prodensia T ◽

Sruthi Turaga ◽

...

Keyword(s):

Molecular Docking ◽

Three Dimensional ◽

Quantitative Structure ◽

Pyrimidine Derivatives ◽

Structure Activity ◽

Artificial neural network‐based quantitative structure–activity relationships model and molecular docking for virtual screening of novel potent acetylcholinesterase inhibitors

Journal of the Chinese Chemical Society ◽

10.1002/jccs.202000457 ◽

2021 ◽

Author(s):

Enfale Zerroug ◽

Salah Belaidi ◽

Samir Chtita

Keyword(s):

Neural Network ◽

Artificial Neural Network ◽

Molecular Docking ◽

Virtual Screening ◽

Acetylcholinesterase Inhibitors ◽

Quantitative Structure ◽

Structure Activity ◽

Quantitative Structure Activity Relationships ◽

Artificial Neural

In silico drug design of inhibitor of nuclear factor kappa B kinase subunit beta inhibitors from 2-acylamino-3-aminothienopyridines based on quantitative structure–activity relationships and molecular docking

Computational Biology and Chemistry ◽

10.1016/j.compbiolchem.2018.12.021 ◽

2019 ◽

Vol 78 ◽

pp. 297-305 ◽

Cited By ~ 16

Author(s):

Jiao-Long Wang ◽

Liang Li ◽

Mei-Bian Hu ◽

Bo Wu ◽

Wen-Xiang Fan ◽

...

Keyword(s):

Molecular Docking ◽

Drug Design ◽

In Silico ◽

Nuclear Factor Kappa B ◽

Nuclear Factor ◽

Quantitative Structure ◽

Nuclear Factor Kappa ◽

In Silico Drug Design ◽

Structure Activity ◽

Imidazole-containing farnesyltransferase inhibitors: 3D quantitative structure–activity relationships and molecular docking

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-009-9278-z ◽

2009 ◽

Vol 23 (7) ◽

pp. 431-448 ◽

Cited By ~ 10

Author(s):

Aihua Xie ◽

Srinivas Odde ◽

Sivaprakasam Prasanna ◽

Robert J. Doerksen

Keyword(s):

Molecular Docking ◽

Farnesyltransferase Inhibitors ◽

Quantitative Structure ◽

Structure Activity ◽

Quantitative Structure-Activity Relationships and Molecular Docking Studies of P56 LCK Inhibitors

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2006.27.2.266 ◽

2006 ◽

Vol 27 (2) ◽

pp. 266-272 ◽

Cited By ~ 2

Keyword(s):

Molecular Docking ◽

Docking Studies ◽

Quantitative Structure ◽

Molecular Docking Studies ◽

Structure Activity ◽

Quantitative Structure-Activity Relationships of Potential Antimalarial Drugs Active Against Chloroquine-Resistant Plasmodium Falciparum

Planta Medica ◽

10.1055/s-2008-1075144 ◽

2008 ◽

Vol 74 (03) ◽

Author(s):

SJ Hocart ◽

H Liu ◽

D De ◽

FM Krogstad ◽

DJ Krogstad

Keyword(s):

Plasmodium Falciparum ◽

Antimalarial Drugs ◽

Quantitative Structure ◽

Structure Activity ◽

Parabolic Quantitative Structure–Activity Relationships and Photodynamic Therapy: Application of a Three-Compartment Model with Clearance to the In Vivo Quantitative Structure–Activity Relationships of a Congeneric Series of Pyropheophorbide Derivatives Used as Photosensitizers for Photodynamic Therapy

Photochemistry and Photobiology ◽

10.1562/0031-8655(1999)070<0781:pqsrap>2.3.co;2 ◽

1999 ◽

Vol 70 (5) ◽

pp. 781 ◽

Cited By ~ 2

Author(s):

W. R. Potter ◽

B. W. Henderson ◽

D. A. Bellnier ◽

R. K. Pandey ◽

L. A. Vaughan ◽

...

Keyword(s):

Photodynamic Therapy ◽

Compartment Model ◽

Quantitative Structure ◽

Structure Activity ◽

Three Compartment Model ◽

Binding Affinity of Triphenyl Acrylonitriles to Estrogen Receptors: Quantitative Structure-Activity Relationships

Folia Medica ◽

10.2478/v10153-010-0005-2 ◽

2010 ◽

Vol 52 (3) ◽

Cited By ~ 1

Author(s):

Sorana Bolboacă ◽

Monica Marta ◽

Lorentz Jäntschi

Keyword(s):

Estrogen Receptors ◽

Binding Affinity ◽

Quantitative Structure ◽

Structure Activity ◽