Artikel Jurnal :: Kembali

Artikel Jurnal :: Kembali

Judul In Silico Approach to Finding New Active Compounds from Histone Deacetylase (HDAC) Family
Nomor Panggil MK-Pdf
Pengarang
Pengarang/kontributor lain
Subjek
Penerbitan 2016
Kata Kunci HDAC · in silico · bioinformatics · molecular modelling · virtual screening · molecular dynamics. ·
 Info Lainnya
ISBN/ISSNnone
Deskripsi Fisiknone
Catatan Seri none
Catatan Umumnone
Lokasinone
VolumeVolume 22, Issue 23, 2016
  • Ketersediaan
  • File Digital: 1
  • Ulasan
  • Sampul
  • Abstrak
  • Tampilan MARC
Nomor Panggil No. Barkod Ketersediaan
MK-Pdf 03-17-506292961 TERSEDIA
Ulasan:
Tidak ada ulasan pada koleksi ini: 20461474
ABSTRACT
Histone Deacetylase (HDAC) enzymes in the human body play an important role in the
transcriptional regulation of gene expression. In the last decade, HDAC inhibitors and activators have been explored
and have become known as therapeutic agents for many diseases such as osteodystrophy, neurogenerative
disorders, cardiomyopathy, cancer, and diabetes. In recent years, the development of HDAC inhibitors or activators
to obtain new potent lead compounds has been conducted using in vitro, in vivo, and in silico methods. Some
HDAC family inhibitors and activators have been discovered. But some compounds have limitations such as not selectively
binding to one of the HDAC variants. Methods: At present, through bioinformation, HDAC family sequences
have been revealed, and some in silico methods such as molecular modelling (homology modelling and
pharmacophore modelling), virtual screening, and molecular dynamics are widely used to find and develop new potent
and selective compounds. Results: The main utilization of molecular modelling in this work is intended to
complete the HDAC structure that partially lacks data regarding its amino acid monomer. Virtual screening methods are helpful in finding
the best binding affinity of the test compounds. By molecular dynamic simulation, the temperature, time, and pressure can be adjusted
to analyze the hydrogen bond. Conclusion: Combining these in silico approaches will be a more effective and efficient solution in finding
new lead compounds for HDAC drug discovery research in the future
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0221381-6128
040LibUI eng rda
041eng
049[03-17-506292961]
053[03-17-506292961]
082
090MK-Pdf
100Arry Yanuar, author
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245|a In Silico Approach to Finding New Active Compounds from Histone Deacetylase (HDAC) Family |c
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260|a |b |c 2016
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336text (rdacontent)
337computer (rdamedia)
338online resource (rdacarrier)
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520ABSTRACT
Histone Deacetylase (HDAC) enzymes in the human body play an important role in the transcriptional regulation of gene expression. In the last decade, HDAC inhibitors and activators have been explored and have become known as therapeutic agents for many diseases such as osteodystrophy, neurogenerative disorders, cardiomyopathy, cancer, and diabetes. In recent years, the development of HDAC inhibitors or activators to obtain new potent lead compounds has been conducted using in vitro, in vivo, and in silico methods. Some HDAC family inhibitors and activators have been discovered. But some compounds have limitations such as not selectively binding to one of the HDAC variants. Methods: At present, through bioinformation, HDAC family sequences have been revealed, and some in silico methods such as molecular modelling (homology modelling and pharmacophore modelling), virtual screening, and molecular dynamics are widely used to find and develop new potent and selective compounds. Results: The main utilization of molecular modelling in this work is intended to complete the HDAC structure that partially lacks data regarding its amino acid monomer. Virtual screening methods are helpful in finding the best binding affinity of the test compounds. By molecular dynamic simulation, the temperature, time, and pressure can be adjusted to analyze the hydrogen bond. Conclusion: Combining these in silico approaches will be a more effective and efficient solution in finding new lead compounds for HDAC drug discovery research in the future
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650Molecular pharmacology; Histone Deacetylases -- analysis
653HDAC; in silico; bioinformatics; molecular modelling; virtual screening; molecular dynamics.
700Azminah, author; Linda Erlina, author; Andika, author; Rezi Riadhi Syahdi, author
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850Universitas Indonesia
852Perpustakaan UI, Lantai 3
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