Fragment-based QSAR: perspectives in drug design (Q37382159)

20 August 2017

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title

Fragment-based QSAR: perspectives in drug design (English)

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20 August 2017

Lívia B Salum

1

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20 August 2017

Adriano D Andricopulo

series ordinal

2

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20 August 2017

publication date

31 January 2009

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20 August 2017

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20 August 2017

volume

13

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20 August 2017

issue

3

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20 August 2017

page(s)

277-285

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Is there a difference between leads and drugs? A historical perspective

20 August 2017

cites work

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https://api.crossref.org/works/10.1007%2FS11030-009-9112-5

Evaluation of quantitative structure-activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor.

21 January 2018

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https://api.crossref.org/works/10.1007%2FS11030-009-9112-5

A comparative QSAR study using CoMFA, HQSAR, and FRED/SKEYS paradigms for estrogen receptor binding affinities of structurally diverse compounds

21 January 2018

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Crossref

https://api.crossref.org/works/10.1007%2FS11030-009-9112-5

21 January 2018

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12 December 2020

Structure-based approach for the study of estrogen receptor binding affinity and subtype selectivity.

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12 December 2020

Structural and chemical basis for enhanced affinity and potency for a large series of estrogen receptor ligands: 2D and 3D QSAR studies

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12 December 2020

A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors

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12 December 2020

ADMET in silico modelling: towards prediction paradise?

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12 December 2020

Structure-activity relationships for a class of selective inhibitors of the major cysteine protease from Trypanosoma cruzi

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12 December 2020

Hologram quantitative structure-activity relationships for a series of farnesoid X receptor activators

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12 December 2020

Structural basis for selective inhibition of trypanosomatid glyceraldehyde-3-phosphate dehydrogenase: molecular docking and 3D QSAR studies.

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12 December 2020

Virtual screening for aryl hydrocarbon receptor binding prediction

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12 December 2020

Virtual screening and its integration with modern drug design technologies.

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12 December 2020

PK/DB: database for pharmacokinetic properties and predictive in silico ADME models

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12 December 2020

On the prediction of binding properties of drug molecules by comparative molecular field analysis

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12 December 2020

Synthetic 2-aroylindole derivatives as a new class of potent tubulin-inhibitory, antimitotic agents

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12 December 2020

Hologram quantitative structure activity relationship studies on 5-HT6 antagonists

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12 December 2020

Developing an antituberculosis compounds database and data mining in the search of a motif responsible for the activity of a diverse class of antituberculosis agents

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12 December 2020

Successful implementation of automation in medicinal chemistry

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12 December 2020

7-Aroyl-aminoindoline-1-sulfonamides as a novel class of potent antitubulin agents

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12 December 2020

Use of 3D QSAR models for database screening: a feasibility study.

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12 December 2020

Two-dimensional QSAR studies on arylpiperazines as high-affinity 5-HT(1A) receptor ligands.

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12 December 2020

The price of innovation: new estimates of drug development costs

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12 December 2020

Two- and three-dimensional quantitative structure-activity relationships for a series of purine nucleoside phosphorylase inhibitors.

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12 December 2020

From virtuality to reality - Virtual screening in lead discovery and lead optimization: a medicinal chemistry perspective

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12 December 2020

Structure-activity relationships for the design of small-molecule inhibitors.

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12 December 2020

Chemical space and biology

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12 December 2020

Quantitative structure-activity relationships for a series of selective estrogen receptor-beta modulators

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12 December 2020

A brief history of novel drug discovery technologies

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12 December 2020

Antimitotic activities of 2-phenylindole-3-carbaldehydes in human breast cancer cells

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12 December 2020

A comparative study of quantitative structure activity relationship methods based on antitumor diarylsulfonylureas

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12 December 2020

Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

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12 December 2020

Fragment-based and classical quantitative structure-activity relationships for a series of hydrazides as antituberculosis agents

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12 December 2020

3D QSAR comparative molecular field analysis on nonsteroidal farnesoid X receptor activators

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12 December 2020

QSAR studies on piperazinylalkylisoxazole analogues selectively acting on dopamine D3 receptor by HQSAR and CoMFA.

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12 December 2020

Drug research: myths, hype and reality

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12 December 2020

Hologram QSAR model for the prediction of human oral bioavailability

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12 December 2020

A guide to drug discovery: The role of the medicinal chemist in drug discovery — then and now

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12 December 2020

New p-methylsulfonamido phenylethylamine analogues as class III antiarrhythmic agents: design, synthesis, biological assay, and 3D-QSAR analysis

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12 December 2020

2D QSAR studies on thyroid hormone receptor ligands.

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12 December 2020

Integration of virtual and high-throughput screening

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12 December 2020

CoMFA, HQSAR and molecular docking studies of butitaxel analogues with beta-tubulin.

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12 December 2020

Interaction field based and hologram based QSAR analysis of propafenone-type modulators of multidrug resistance.

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12 December 2020

2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors

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12 December 2020

Scaffold selection and scaffold hopping in lead generation: a medicinal chemistry perspective

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12 December 2020

Structure-activity relationships of the antimalarial agent artemisinin. 6. The development of predictive in vitro potency models using CoMFA and HQSAR methodologies

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12 December 2020

Arylthioindole inhibitors of tubulin polymerization. 3. Biological evaluation, structure-activity relationships and molecular modeling studies.

1 reference

12 December 2020

Hologram quantitative structure-activity relationships investigations of non-nucleoside reverse transcriptase inhibitors

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12 December 2020

Predictive QSAR modeling workflow, model applicability domains, and virtual screening

1 reference

12 December 2020

High-throughput and virtual screening: core lead discovery technologies move towards integration

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12 December 2020

Hit and lead generation: beyond high-throughput screening

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12 December 2020

Screening for drug discovery: The leading question

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12 December 2020

Chem-bioinformatics and QSAR: a review of QSAR lacking positive hydrophobic terms

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12 December 2020

In Silico ADME Prediction: Data, Models, Facts and Myths

1 reference

12 December 2020

A comparative study of quantitative structure-activity relationship methods based on gallic acid derivatives.

1 reference

12 December 2020

10.1007/S11030-009-9112-5

Identifiers

DOI

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20 August 2017

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