PyPLIF HIPPOS and receptor ensemble docking increase the prediction accuracy of the structure-based virtual screening protocol targeting acetylcholinesterase
In this article, the upgrading process of the structure-based virtual screening (SBVS) protocol
targeting acetylcholinesterase (AChE) previously published in 2017 is presented. The …
targeting acetylcholinesterase (AChE) previously published in 2017 is presented. The …
[PDF][PDF] Uji in silico senyawa 2, 6-dihidroksiantraquinon sebagai ligan pada reseptor estrogen alfa
FF Setiawan, EP Istyastono - Jurnal Farmasi Sains dan …, 2015 - scholar.archive.org
Previous studies has shown that estrogen receptor alpha that binds to estrogen may
increase cancer cell proliferation, thus estrogen receptor alpha can be targeted to cure …
increase cancer cell proliferation, thus estrogen receptor alpha can be targeted to cure …
[PDF][PDF] Computer-aided design of chalcone derivatives as lead compounds targeting acetylcholinesterase
One of well-established biological activities for chalcone derivatives is as
acetylcholinesterase inhibitors, which can be developed for the therapy of Alzheimer's …
acetylcholinesterase inhibitors, which can be developed for the therapy of Alzheimer's …
[PDF][PDF] Binary quantitative structure-activity relationship analysis in retrospective structure based virtual screening campaigns targeting estrogen receptor alpha
Objective: The objective of this study is to Construct predictive unbiased structure-based
virtual screening (SBVS) protocols to identify potent ligands for estrogen receptor alpha by …
virtual screening (SBVS) protocols to identify potent ligands for estrogen receptor alpha by …
Computer-aided discovery of pentapeptide AEYTR as a potent acetylcholinesterase inhibitor
EP Istyastono, VD Prasasty - Indonesian Journal of Chemistry, 2021 - journal.ugm.ac.id
One of the key targets in the drug development for potential Alzheimer's disease (AD)
therapeutics is the search for acetylcholinesterase enzyme (AChE) inhibitors. Very recently …
therapeutics is the search for acetylcholinesterase enzyme (AChE) inhibitors. Very recently …
PyPLIF HIPPOS-assisted prediction of molecular determinants of ligand binding to receptors
Identification of molecular determinants of receptor-ligand binding could significantly
increase the quality of structure-based virtual screening protocols. In turn, drug design …
increase the quality of structure-based virtual screening protocols. In turn, drug design …
Development of a Graphical User Interface Application to Identify Marginal and Potent Ligands for Estrogen Receptor Alpha
Abstract Employing ensemble Protein-Ligand Interaction Fingerprints (ensPLIF) as
descriptors in post retrospective Structure-Based Virtual Screening (SBVS) campaigns …
descriptors in post retrospective Structure-Based Virtual Screening (SBVS) campaigns …
Binary quantitative structure-activity relationship analysis to increase the predictive ability of structure-based virtual screening campaigns targeting cyclooxygenase-2
EP Istyastono - Indonesian Journal of Chemistry, 2017 - journal.ugm.ac.id
Abstract Structure-Based Virtual Screening (SBVS) campaigns employing Protein-Ligand
Interaction Fingerprints (PLIF) identification have served as a powerful strategy in fragments …
Interaction Fingerprints (PLIF) identification have served as a powerful strategy in fragments …
[PDF][PDF] Optimizing Structure-based Virtual Screening protocol to identify phytochemicals as cyclooxygenase-2 inhibitors.
EP Istyastono - Indonesian Journal of Pharmacy/Majalah …, 2016 - pdfs.semanticscholar.org
ABSTRACT By employing Databases of Useful Decoys (DUD) and its enhanced version
(DUD-E), several attempts to construct validated Structure-based Virtual Screening (SBVS) …
(DUD-E), several attempts to construct validated Structure-based Virtual Screening (SBVS) …
[图书][B] Rancangan Obat dan Penapisan Virtual Berbasis Struktur
EP Istyastono - 2020 - books.google.com
Tulisan untuk Mata Kuliah Kimia Medisinal dan Rancangan Obat dan dapat digunakan
untuk materi-materi perkuliahan terkait di bidang Ilmu Farmasi pada khususnya dan Ilmu …
untuk materi-materi perkuliahan terkait di bidang Ilmu Farmasi pada khususnya dan Ilmu …