(Q46703800)

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Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining

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scholarly article

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining (English)

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

0 references

nearest neighbour algorithm

1 reference

based on heuristic

inferred from title

quantitative structure-activity relationship

1 reference

based on heuristic

inferred from title

Alexander Tropsha

5

object named as

Alexander Tropsha

1 reference

Europe PubMed Central

24 December 2017

Alexander Golbraikh

2

object named as

Alexander Golbraikh

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

3

object named as

Scott Oloff

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

author name string

Jose Luis Medina-Franco

1

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

Rafael Castillo

4

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

publication date

1 April 2005

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

Journal of Computer - Aided Molecular Design

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Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

19

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Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

4

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Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

229-242

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Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

https://scigraph.springernature.com/pub.10.1007/s10822-005-4789-8

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Binding of the second generation non-nucleoside inhibitor S-1153 to HIV-1 reverse transcriptase involves extensive main chain hydrogen bonding

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative Quantitative Structureminus signActivity Relationship Studies on Anti-HIV Drugs

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Novel variable selection quantitative structure--property relationship approach based on the k-nearest-neighbor principle

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High resolution structures of HIV-1 RT from four RT-inhibitor complexes

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https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 V

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystallographic analysis of the binding modes of thiazoloisoindolinone non-nucleoside inhibitors to HIV-1 reverse transcriptase and comparison with modeling studies

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Unique features in the structure of the complex between HIV-1 reverse transcriptase and the bis(heteroaryl)piperazine (BHAP) U-90152 explain resistance mutations for this nonnucleoside inhibitor

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Viral resistance to human immunodeficiency virus type 1-specific pyridinone reverse transcriptase inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Electrostatic effects in proteins: comparison of dielectric and charge models

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structures of HIV-1 reverse transcriptase in complex with carboxanilide derivatives

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and evaluation of 2-pyridinone derivatives as HIV-1-specific reverse transcriptase inhibitors. 2. Analogs of 3-aminopyridin-2(1H)-one

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and evaluation of 2-pyridinone derivatives as HIV-1 specific reverse transcriptase inhibitors. 1. Phthalimidoalkyl and -alkylamino analogs

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of the descriptor pharmacophores using variable selection QSAR: applications to database mining

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Quantitative structure-activity relationship analysis of functionalized amino acid anticonvulsant agents using k nearest neighbor and simulated annealing PLS methods

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure-based drug design of non-nucleoside inhibitors for wild-type and drug-resistant HIV reverse transcriptase

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The structure of HIV-1 reverse transcriptase complexed with 9-chloro-TIBO: lessons for inhibitor design

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Urea-PETT compounds as a new class of HIV-1 reverse transcriptase inhibitors. 3. Synthesis and further structure-activity relationship studies of PETT analogues

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Flexible docking of pyridinone derivatives into the non-nucleoside inhibitor binding site of HIV-1 reverse transcriptase.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Mechanism of inhibition of HIV-1 reverse transcriptase by non-nucleoside inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Pyridinone derivatives: specific human immunodeficiency virus type 1 reverse transcriptase inhibitors with antiviral activity

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Phenylethylthiazolylthiourea (PETT) non-nucleoside inhibitors of HIV-1 and HIV-2 reverse transcriptases. Structural and biochemical analyses

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Synthesis and evaluation of 2-pyridinone derivatives as HIV-1-specific reverse transcriptase inhibitors. 4. 3-[2-(Benzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one and analogues

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Plasma viremia as a sensitive indicator of the antiretroviral activity of L-697,661.

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

HIV-chemotherapy and -prophylaxis: new drugs, leads and approaches

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structural basis for the resilience of efavirenz (DMP-266) to drug resistance mutations in HIV-1 reverse transcriptase

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

HIV reverse transcriptase structure-function relationships

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

2-Pyridinone derivatives: a new class of nonnucleoside, HIV-1-specific reverse transcriptase inhibitors

1 reference

https://pubmed.ncbi.nlm.nih.gov/16163450

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S10822-005-4789-8

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

DBLP publication ID

journals/jcamd/Medina-FrancoGOCT05

1 reference

DBLP Dataset 2021-01-02

28 January 2021

release_e5wolntpdfg3benb4wwog36aia

1 reference

https://api.fatcat.wiki/v0/release/e5wolntpdfg3benb4wwog36aia

24 November 2022

based on heuristic

mapped directly with Wikidata item

1 reference

Europe PubMed Central

24 December 2017

http://europepmc.org/abstract/MED/16163450

ResearchGate publication ID

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