Quantitative Structure−Activity Relationship Analysis and Molecular Dynamics Simulation To Functionally Validate Nonsynonymous Polymorphisms of Human ABC Transporter ABCB1 (P-Glycoprotein/MDR1)†

Dynamics Simulation ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

P Glycoprotein

Combined molecular docking, molecular dynamics simulation and quantitative structure–activity relationship study of pyrimido[1,2-c][1,3]benzothiazin-6-imine derivatives as potent anti-HIV drugs

Journal of Molecular Structure ◽

10.1016/j.molstruc.2014.03.008 ◽

2014 ◽

Vol 1067 ◽

pp. 1-13 ◽

Cited By ~ 6

Author(s):

Fangfang Deng ◽

Meihong Xie ◽

Xiaoyun Zhang ◽

Peizhen Li ◽

Yueli Tian ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Docking ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Quantitative Structure ◽

Structure Activity ◽

Relationship Study ◽

Hiv Drugs ◽

Anti Hiv

Antimicrobial cell penetrating peptides with bacterial cell specificity: pharmacophore modelling, quantitative structure activity relationship and molecular dynamics simulation

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2018.1484814 ◽

2018 ◽

Vol 37 (9) ◽

pp. 2370-2380 ◽

Cited By ~ 2

Author(s):

Mbuso Faya ◽

Rahul S. Kalhapure ◽

Dinesh Dhumal ◽

Nikhil Agrawal ◽

Calvin Omolo ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Cell Penetrating Peptides ◽

Dynamics Simulation ◽

Quantitative Structure ◽

Pharmacophore Modelling ◽

Structure Activity ◽

Cell Specificity ◽

Cell Penetrating

Quantitative Structure-Activity Relationship Analysis of the Cation Permeability of the P2X2 Channel

Medicinal Chemistry ◽

10.2174/1573406053175210 ◽

2005 ◽

Vol 1 (2) ◽

pp. 109-115 ◽

Cited By ~ 3

Author(s):

Peter Mager ◽

Anje Weber ◽

Peter Illes

Keyword(s):

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Cation Permeability

In-silico Comparative Study and Quantitative Structure-activity Relationship Analysis of Some Structural Physiochemical Descriptors of Elvitegravir Analogs

Journal of Young Pharmacists ◽

10.4103/0975-1483.83776 ◽

2011 ◽

Vol 3 (3) ◽

pp. 246-249 ◽

Cited By ~ 3

Author(s):

R. Satpathy ◽

S. Ghosh

Keyword(s):

Comparative Study ◽

In Silico ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

Quantitative Structure-Activity Relationship Analysis of the Substituent Effects on the Binding Affinity of Derivatives of Trimetazidine

Arzneimittelforschung ◽

10.1055/s-0031-1296930 ◽

2011 ◽

Vol 54 (01) ◽

pp. 9-14

Author(s):

Svetoslav Slavov ◽

Maria Djunlieva ◽

Sonia Ilieva ◽

Boris Galabov

Keyword(s):

Binding Affinity ◽

Substituent Effects ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

Derivatives Of

Antileishmanial Chalcones: Statistical Design, Synthesis, and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm980410m ◽

1998 ◽

Vol 41 (24) ◽

pp. 4819-4832 ◽

Cited By ~ 183

Author(s):

Simon Feldbæk Nielsen ◽

Søren Brøgger Christensen ◽

Gabriele Cruciani ◽

Arsalan Kharazmi ◽

Tommy Liljefors

Keyword(s):

Three Dimensional ◽

Statistical Design ◽

Activity Relationship ◽

Quantitative Structure ◽

Design Synthesis ◽

Relationship Analysis ◽

Structure Activity

ChemInform Abstract: Synthesis, Fungitoxicity and Quantitative Structure-Activity Relationship Analysis of O-Aryl O-Ethyl 2-Chloroethyl Phosphonates.

ChemInform ◽

10.1002/chin.199916173 ◽

2010 ◽

Vol 30 (16) ◽

pp. no-no

Author(s):

Atulya K. Panda ◽

N. K. Roy

Keyword(s):

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity

Biological Evaluation, Structure−Activity Relationships, and Three-Dimensional Quantitative Structure−Activity Relationship Studies of Dihydro-β-agarofuran Sesquiterpenes as Modulators of P-Glycoprotein-Dependent Multidrug Resistance

Journal of Medicinal Chemistry ◽

10.1021/jm070290v ◽

2007 ◽

Vol 50 (20) ◽

pp. 4808-4817 ◽

Cited By ~ 30

Author(s):

Carolina P. Reyes ◽

Francisco Muñoz-Martínez ◽

Ivan R. Torrecillas ◽

Cristina R. Mendoza ◽

Francisco Gamarro ◽

...

Keyword(s):

Multidrug Resistance ◽

Three Dimensional ◽

Biological Evaluation ◽

Activity Relationship ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

P Glycoprotein

The use of ladder particle swarm optimisation for quantitative structure–activity relationship analysis of human immunodeficiency virus-1 integrase inhibitors

Molecular Simulation ◽

10.1080/08927022.2011.586347 ◽

2011 ◽

Vol 37 (15) ◽

pp. 1221-1233 ◽

Cited By ~ 3

Author(s):

Mehdi Jalali-Heravi ◽

Heshmatollah Ebrahimi-Najafabadi

Keyword(s):

Human Immunodeficiency Virus ◽

Activity Relationship ◽

Quantitative Structure ◽

Integrase Inhibitors ◽

Relationship Analysis ◽

Structure Activity ◽

Immunodeficiency Virus ◽

Human Immunodeficiency Virus 1

Proposal of a New Binding Orientation for Non-Peptide AT1 Antagonists: Homology Modeling, Docking and Three-Dimensional Quantitative Structure−Activity Relationship Analysis

Journal of Medicinal Chemistry ◽

10.1021/jm060338p ◽

2006 ◽

Vol 49 (14) ◽

pp. 4305-4316 ◽

Cited By ~ 60

Author(s):

Tiziano Tuccinardi ◽

Vincenzo Calderone ◽

Simona Rapposelli ◽

Adriano Martinelli

Keyword(s):

Homology Modeling ◽

Three Dimensional ◽

Activity Relationship ◽

Quantitative Structure ◽

Relationship Analysis ◽

Structure Activity ◽

At1 Antagonists ◽

Binding Orientation