4D-QSAR: perspectives in drug design.

Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry
Carolina H AndradeA J Hopfinger

Abstract

Drug design is a process driven by innovation and technological breakthroughs involving a combination of advanced experimental and computational methods. A broad variety of medicinal chemistry approaches can be used for the identification of hits, generation of leads, as well as to accelerate the optimization of leads into drug candidates. The quantitative structure-activity relationship (QSAR) formalisms are among the most important strategies that can be applied for the successful design new molecules. This review provides a comprehensive review on the evolution and current status of 4D-QSAR, highlighting present challenges and new opportunities in drug design.

References

Feb 19, 2000·Current Opinion in Biotechnology·A J Hopfinger, J S Duca
Feb 24, 2001·Journal of Chemical Information and Computer Sciences·G M Keserü, L Molnár
Jul 27, 2001·Journal of Molecular Biology·I Li de la SierraM Delarue
Oct 18, 2001·Journal of Chemical Information and Computer Sciences·J S Duca, A J Hopfinger
Oct 24, 2001·European Journal of Medicinal Chemistry·J A PlattsD Butina
Dec 26, 2001·Journal of Chemical Information and Computer Sciences·M RaviL Dinan
Jul 12, 2002·Journal of Medicinal Chemistry·Matthew D KrasowskiNeil L Harrison
Jan 28, 2003·Journal of Chemical Information and Computer Sciences·Xuan Hong, A J Hopfinger
Mar 4, 2003·Nature Reviews. Drug Discovery·Han van de Waterbeemd, Eric Gifford
May 17, 2003·Nature Reviews. Drug Discovery·Konrad H BleicherAlexander I Alanine
Jul 1, 1964·Journal of Medicinal Chemistry·S M FREE, J W WILSON
Oct 8, 2003·Mini Reviews in Medicinal Chemistry·Franco LombardoMarina Y Shalaeva
Nov 25, 2003·Journal of Chemical Information and Computer Sciences·Jianzhong LiuAnton J Hopfinger
Sep 28, 2004·Journal of Chemical Information and Computer Sciences·Craig L SeneseY J Tseng
Oct 2, 2004·Nature Reviews. Drug Discovery·Joseph G Lombardino, John A Lowe
Nov 24, 2004·Journal of Chemical Information and Computer Sciences·Dahua PanAnton J Hopfinger
Oct 19, 2005·Journal of Computer-aided Molecular Design·Nelilma Correia RomeiroAnton J Hopfinger
Feb 16, 2007·Bioorganic & Medicinal Chemistry Letters·Hao ChenSuzanne R Abrams
Jul 31, 2007·Journal of Chemical Information and Modeling·Manisha Iyer, A J Hopfinger
Jan 29, 2008·Current Medicinal Chemistry·Rafael V C GuidoAdriano D Andricopulo
Dec 5, 2008·Bioinformation·Sangeetha SubramaniamDinesh Gupta
Feb 3, 2009·Molecular Diversity·Lívia B Salum, Adriano D Andricopulo
Mar 20, 2009·Journal of Chemical Information and Modeling·Carolina H AndradeAnton J Hopfinger
Aug 20, 2009·Medicinal Chemistry·Osvaldo A Santos-FilhoRicardo Bicca de Alencastro
Sep 17, 2009·Current Topics in Medicinal Chemistry·Adriano D AndricopuloDonald J Abraham
Aug 1, 1988·Journal of the American Chemical Society·R D CramerJ D Bunce

❮ Previous
Next ❯

Citations

Aug 17, 2011·Journal of Chemical Information and Modeling·Markus MuehlbacherTimothy Clark
Jun 5, 2012·Journal of Chemical Information and Modeling·Eduardo B de Melo, Márcia M C Ferreira
May 13, 2014·Analytical and Bioanalytical Chemistry·Peter FechnerJulia Widmaier
Jun 24, 2014·TheScientificWorldJournal·Zahra GhanbariMaliheh Javan Khoshkholgh
Mar 29, 2014·Journal of Enzyme Inhibition and Medicinal Chemistry·Ashfaq M QureshiZahid H Chohan
Oct 23, 2015·Environmental Science and Pollution Research International·Pingru SuZhemin Shen
Sep 18, 2014·Journal of Chemical Information and Modeling·Adel HamzaKonstantin V Korotkov
Apr 24, 2014·Journal of Biomolecular Structure & Dynamics·Vijay M KhedkarEvans C Coutinho
Aug 6, 2016·Molecular Informatics·Kely Medeiros TurraKerly Fernanda Mesquita Pasqualoto
Jun 3, 2016·Journal of Chemical Information and Modeling·Cleber C Melo-FilhoCarolina H Andrade
Jun 1, 2017·Expert Opinion on Drug Discovery·Tao WangLi-Rong Yang
Jun 19, 2012·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Ana Carolina Rennó SoderoMagaly Girão Albuquerque
May 28, 2019·Molecular Informatics·Daniela Rodrigues SilvaElaine Fontes Ferreira da Cunha
Sep 13, 2019·Expert Opinion on Drug Discovery·Denis Fourches, Jeremy Ash
Apr 4, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Cosmin Alexandru BugeacMihaela Dinu
Jun 3, 2021·International Journal of Molecular Sciences·Andrzej Bak
Jul 27, 2021·Chemical Reviews·Felix MusilMichele Ceriotti
Mar 16, 2018·Journal of Chemical Information and Modeling·Samiul M Ansari, David S Palmer
Dec 26, 2018·Journal of Chemical Information and Modeling·Stefan M IvanovPeter J Bond
Jul 2, 2019·Journal of Chemical Information and Modeling·Andrei L Lomize, Irina D Pogozheva
Sep 18, 2021·SAR and QSAR in Environmental Research·K SahinS Durdagi
Sep 24, 2021·Topics in Current Chemistry·Yu-Liang WangGuang-Fu Yang

❮ Previous
Next ❯

Software Mentioned

VHTS
GOLPE
RD
QSAR
CoMFA ( Molecular Fields Analysis )
CoMSIA
SEAL
CoMFA
GRID
Molecular Shape Analysis ( MSA )

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.