ArticleBMC bioinformatics2011
In silico modification of suberoylanilide hydroxamic acid (SAHA) as potential inhibitor for class II histone deacetylase (HDAC).
Article in BMC bioinformatics, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Article
- Molecular mechanism underlying the hypolipidemic effect of Shanmei Capsule based on network pharmacology and molecular docking.Technology and health care : official journal of the European Society for Engineering and Medicine · 2021Article
- Histone Deacetylase Inhibitors as Therapeutic Interventions on Cervical Cancer Induced by Human Papillomavirus.Frontiers in cell and developmental biology · 2020Review
- Phytosterols and triterpenes from Morinda lucida Benth. exhibit binding tendency against class I HDAC and HDAC7 isoforms.Molecular biology reports · 2019Article
- Molecular docking and ADMET analysis of hydroxamic acids as HDAC2 inhibitors.Bioinformation · 2019Article
- Exposing the Molecular Screening Method of Indonesian Natural Products Derivate as Drug Candidates for Cervical Cancer.Iranian journal of pharmaceutical research : IJPR · 2017Article
- Modification ofDrug target insights · 2017Article
- SFRP1 is a possible candidate for epigenetic therapy in non-small cell lung cancer.BMC medical genomics · 2016Article
- In silico modification of oseltamivir as neuraminidase inhibitor of influenza A virus subtype H1N1.Journal of biomedical research · 2015Article
- Synthesis and antiproliferative activity of C-3 functionalized isobenzofuran-1(3H)-ones.Molecules (Basel, Switzerland) · 2013Article
- Molecular dynamics simulation of complex Histones Deacetylase (HDAC) Class II Homo Sapiens with suberoylanilide hydroxamic acid (SAHA) and its derivatives as inhibitors of cervical cancer.Bioinformation · 2013Article
- Towards big data science in the decade ahead from ten years of InCoB and the 1st ISCB-Asia Joint Conference.BMC bioinformatics · 2011Article
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3 authors.
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Abstract
backgroundThe cervical cancer is the second most prevalent cancer for the woman in the world. It is caused by the oncogenic human papilloma virus (HPV). The inhibition activity of histone deacetylase (HDAC) is a potential strategy for cancer therapy. Suberoylanilide hydroxamic acid (SAHA) is widely known as a low toxicity HDAC inhibitor. This research presents in silico SAHA modification by utilizing triazole, in order to obtain a better inhibitor. We conducted docking of the SAHA inhibitor and 12 modified versions to six class II HDAC enzymes, and then proceeded with drug scanning of each one of them.
resultsThe docking results show that the 12 modified inhibitors have much better binding affinity and inhibition potential than SAHA. Based on drug scan analysis, six of the modified inhibitors have robust pharmacological attributes, as revealed by drug likeness, drug score, oral bioavailability, and toxicity levels.
conclusionsThe binding affinity, free energy and drug scan screening of the best inhibitors have shown that 1c and 2c modified inhibitors are the best ones to inhibit class II HDAC.
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