(Q80508968)

English

Docking mode of delvardine and its analogues into the p66 domain of HIV-1 reverse transcriptase: screening using molecular mechanics-generalized born/surface area and absorption, distribution, metabolism and excretion properties

scientific article published on 01 December 2007

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

Docking mode of delvardine and its analogues into the p66 domain of HIV-1 reverse transcriptase: screening using molecular mechanics-generalized born/surface area and absorption, distribution, metabolism and excretion properties (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

author name string

Dipankar Sengupta

1

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

Deeptak Verma

2

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

Pradeep K Naik

3

1 reference

Europe PubMed Central

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1 January 2020

publication date

1 December 2007

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

Journal of Biosciences

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

32

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Europe PubMed Central

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1 January 2020

7

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

1307-1316

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18202455%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

Locations of anti-AIDS drug binding sites and resistance mutations in the three-dimensional structure of HIV-1 reverse transcriptase. Implications for mechanisms of drug inhibition and resistance

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structure of human immunodeficiency virus type 1 reverse transcriptase complexed with double-stranded DNA at 3.0 A resolution shows bent DNA

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

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/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Application of the frozen atom approximation to the GB/SA continuum model for solvation free energy

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of a covalently trapped catalytic complex of HIV-1 reverse transcriptase: implications for drug resistance

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Monte Carlo calculations on HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor 8-Cl TIBO: contribution of the L100I and Y181C variants to protein stability and biological activity

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Computational studies on tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor- and receptor-ba

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin,

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Targeting HIV reverse transcriptase for anti-AIDS drug design: structural and biological considerations for chemotherapeutic strategies.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A core-weighted fitting method for docking atomic structures into low-resolution maps: application to cryo-electron microscopy.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Analysis of etoposide binding to subdomains of human DNA topoisomerase II alpha in the absence of DNA.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Non-nucleoside reverse transcriptase inhibitors: the NNRTI boom

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure and functional implications of the polymerase active site region in a complex of HIV-1 RT with a double-stranded DNA template-primer and an antibody Fab fragment at 2.8 A resolution

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Towards integrated ADME prediction: past, present and future directions for modelling metabolism by UDP-glucuronosyltransferases.

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Retroviral Reverse Transcription and Integration: Progress and Problems

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

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/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Structure of the binding site for nonnucleoside inhibitors of the reverse transcriptase of human immunodeficiency virus type 1

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

New anti-HIV agents and targets

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

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/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Crystal structure at 3.5 A resolution of HIV-1 reverse transcriptase complexed with an inhibitor

1 reference

https://pubmed.ncbi.nlm.nih.gov/18202455

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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