In Silico Approach for Conformational Analysis, Drug-Likeness Properties and Structure Activity Relationships of 12-Membered Macrolides

Salah Belaidi; Oumhani Youcef; Toufik Salah; Touhami Lanez

doi:10.1166/jctn.2015.4451

In Silico Approach for Conformational Analysis, Drug-Likeness Properties and Structure Activity Relationships of 12-Membered Macrolides

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2015.4451 ◽

2015 ◽

Vol 12 (11) ◽

pp. 4855-4861 ◽

Cited By ~ 2

Author(s):

Salah Belaidi ◽

Oumhani Youcef ◽

Toufik Salah ◽

Touhami Lanez

Keyword(s):

Conformational Analysis ◽

In Silico ◽

Structure Activity Relationships ◽

Structure Activity

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Dienic analogs of (Z)-5-decenyl acetate, a pheromone component of the turnip moth, Agrotis segetum: Synthesis, conformational analysis and structure-activity relationships

Bioorganic Chemistry ◽

10.1016/0045-2068(87)90036-8 ◽

1987 ◽

Vol 15 (4) ◽

pp. 409-422 ◽

Cited By ~ 25

Author(s):

Marie Bengtsson ◽

Tommy Liljefors ◽

Bill S. Hansson

Keyword(s):

Conformational Analysis ◽

Pheromone Component ◽

Agrotis Segetum ◽

Structure Activity Relationships ◽

Structure Activity ◽

Turnip Moth

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Synthesis, Structure-Activity Relationships (SAR) and in Silico Studies of Coumarin Derivatives with Antifungal Activity

International Journal of Molecular Sciences ◽

10.3390/ijms14011293 ◽

2013 ◽

Vol 14 (1) ◽

pp. 1293-1309 ◽

Cited By ~ 24

Author(s):

Rodrigo de Araújo ◽

Felipe Guerra ◽

Edeltrudes de O. Lima ◽

Carlos de Simone ◽

Josean Tavares ◽

...

Keyword(s):

Antifungal Activity ◽

In Silico ◽

Coumarin Derivatives ◽

Structure Activity Relationships ◽

Structure Activity ◽

In Silico Studies

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ChemInform Abstract: Benzoxazines. Part 2. Synthesis, Conformational Analysis, and Structure-Activity Relationships of 3,4-Dihydro-2H-1,4-benzoxazine-8- carboxamide Derivatives as Potent and Long-Acting Serotonin-3 (5-HT3) Receptor Antagonists.

ChemInform ◽

10.1002/chin.199721050 ◽

2010 ◽

Vol 28 (21) ◽

pp. no-no

Author(s):

T. KUROITA ◽

N. MARUBAYASHI ◽

M. SANO ◽

K. KANZAKI ◽

K. INABA ◽

...

Keyword(s):

Conformational Analysis ◽

Receptor Antagonists ◽

Structure Activity Relationships ◽

Structure Activity ◽

Long Acting

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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

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.06.020 ◽

2019 ◽

Vol 1195 ◽

pp. 914-928 ◽

Cited By ~ 5

Author(s):

Jiaolong Wang ◽

Wei Peng ◽

Xinyu Li ◽

Wenxiang Fan ◽

Daneng Wei ◽

...

Keyword(s):

Molecular Docking ◽

In Silico ◽

Cathepsin K ◽

Quantitative Structure ◽

In Silico Design ◽

Structure Activity Relationships ◽

Structure Activity ◽

Cathepsin K Inhibitors ◽

Quantitative Structure Activity Relationships

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Identification of new 3-phenyl-1H-indole-2-carbohydrazide derivatives and their structure-activity relationships as potent tubulin inhibitors and anticancer agents: A combined in silico, in vitro and synthetic study

Bioorganic Chemistry ◽

10.1016/j.bioorg.2021.104795 ◽

2021 ◽

pp. 104795

Author(s):

Rungroj Saruengkhanphasit ◽

Chutikarn Butkinaree ◽

Narittira Ornnork ◽

Kriengsak Lirdprapamongkol ◽

Worawat Niwetmarin ◽

...

Keyword(s):

Anticancer Agents ◽

In Silico ◽

Tubulin Inhibitors ◽

Structure Activity Relationships ◽

Structure Activity

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Statistical analysis and shape recognition: Applications to MD simulations, conformational analysis and structure-activity relationships

Trends in QSAR and Molecular Modelling 92 ◽

10.1007/978-94-011-1472-1_33 ◽

1993 ◽

pp. 216-219 ◽

Cited By ~ 3

Author(s):

Gérard Grassy ◽

Roger Lahana

Keyword(s):

Statistical Analysis ◽

Conformational Analysis ◽

Shape Recognition ◽

Md Simulations ◽

Structure Activity Relationships ◽

Structure Activity

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Structure activity relationships (SAR) study to design and synthesize new tubulin inhibitors with enhanced anti-tubulin activity: In silico and in vitro analysis

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.129204 ◽

2021 ◽

Vol 1223 ◽

pp. 129204

Author(s):

Amit Pandit ◽

Kratika Yadav ◽

Ramesh B Reddy ◽

Sagnik Sengupta ◽

Rajesh Sharma ◽

...

Keyword(s):

In Silico ◽

Tubulin Inhibitors ◽

Structure Activity Relationships ◽

Structure Activity ◽

Vitro Analysis ◽

Sar Study ◽

In Vitro Analysis

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Conformational analysis of rhazinilam and three-dimensional quantitative structure–activity relationships of rhazinilam analogues

Bioorganic & Medicinal Chemistry Letters ◽

10.1016/j.bmcl.2004.12.027 ◽

2005 ◽

Vol 15 (4) ◽

pp. 1045-1050 ◽

Cited By ~ 12

Author(s):

Hiroshi Morita ◽

Khalijah Awang ◽

A. Hamid A. Hadi ◽

Koichi Takeya ◽

Hideji Itokawa ◽

...

Keyword(s):

Conformational Analysis ◽

Three Dimensional ◽

Quantitative Structure ◽

Structure Activity Relationships ◽

Structure Activity ◽

Quantitative Structure Activity Relationships

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Conformational analysis of the anti-HIV Nikavir prodrug: comparisons with AZT and Thymidine, and establishment of structure–activity relationships/tendencies in other 6′-derivatives

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2014.909743 ◽

2014 ◽

Vol 33 (4) ◽

pp. 723-748 ◽

Cited By ~ 25

Author(s):

Ahmed A. El-Sayed ◽

A. Tamara Molina ◽

M.C. Álvarez-Ros ◽

M. Alcolea Palafox

Keyword(s):

Conformational Analysis ◽

Structure Activity Relationships ◽

Structure Activity ◽

Anti Hiv

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Conformational analysis and structure-activity relationships of selective dopamine D-1 receptor agonists and antagonists of the benzazepine series

Journal of Medicinal Chemistry ◽

10.1021/jm00170a025 ◽

1990 ◽

Vol 33 (8) ◽

pp. 2197-2204 ◽

Cited By ~ 35

Author(s):

Ingrid Pettersson ◽

Tommy Liljefors ◽

Klaus Boegesoe

Keyword(s):

Conformational Analysis ◽

Structure Activity Relationships ◽

Receptor Agonists ◽

Structure Activity ◽

Receptor Agonists And Antagonists ◽

Selective Dopamine

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