In the quest for histone deacetylase inhibitors: Current trends in the application of multilayered computational methods
Histone deacetylase (HDAC) inhibitors have gained attention over the past three decades
because of their potential in the treatment of different diseases including various forms of …
because of their potential in the treatment of different diseases including various forms of …
New Biological and Chemical Evidences of Two Lamiaceae Species (Thymbra capitata and Thymus sipyleus subsp. rosulans): In Vitro, In Silico and Ex Vivo …
In this study, the methanolic and infusion extracts of two species, Thymbra capitata and
Thymus sipyleus subsp. rosulans, were tested for their chemical composition and biological …
Thymus sipyleus subsp. rosulans, were tested for their chemical composition and biological …
Comparative GC-MS analysis of fresh and dried Curcuma essential oils with insights into their antioxidant and enzyme inhibitory activities
Species belonging to the Zingiberaceae family are of high nutritional, industrial, and
medicinal values. In this study, we investigated the effect of processing steps (fresh vs. dried …
medicinal values. In this study, we investigated the effect of processing steps (fresh vs. dried …
Chemical profiling of Anthriscus cerefolium (L.) Hoffm., biological potential of the herbal extract, molecular modeling and KEGG pathway analysis
This study was designed to investigate chemical composition and biological activities of the
Anthriscus cerefolium methanolic extract. Chemical characterization of the extracts was …
Anthriscus cerefolium methanolic extract. Chemical characterization of the extracts was …
Discovery of novel inhibitors of histone deacetylase 6: Structure-based virtual screening, molecular dynamics simulation, enzyme inhibition and cell viability assays
AI Uba, M Hryb, M Singh, C Bui-Linh, A Tran, J Atienza… - Life Sciences, 2024 - Elsevier
Abstract Histone deacetylase 6 (HDAC6) contributes to cancer metastasis in several
cancers, including triple-negative breast cancer (TNBC)—the most lethal form that lacks …
cancers, including triple-negative breast cancer (TNBC)—the most lethal form that lacks …
N-acetyl l-aspartate and Triacetin modulate tumor suppressor MicroRNA and class I and II HDAC gene expression induce apoptosis in Glioblastoma cancer cells in …
JR Mekala, RK Kurappalli, PS Ramalingam… - Life sciences, 2021 - Elsevier
Glioblastoma multiforme (GBM), grade IV glioma and is aggressive, malignant primary brain
cancer. Altered expression and activity of epigenetic proteins such as histone deacetylases …
cancer. Altered expression and activity of epigenetic proteins such as histone deacetylases …
Chemical Characterization and Multidirectional Biological Effects of Different Solvent Extracts of Arum elongatum: in Vitro and in Silico Approaches
M Fawzi Mahomoodally, G Zengin… - Chemistry & …, 2023 - Wiley Online Library
Arum elongatum (Araceae) is widely used traditionally for the treatment of abdominal pain,
arterial hypertension, diabetes mellitus, rheumatism and hemorrhoids. This study …
arterial hypertension, diabetes mellitus, rheumatism and hemorrhoids. This study …
Exploring the key structural attributes and chemico-biological interactions of pyridinone-based SARS-CoV-2 3CLpro inhibitors through validated structure-based drug …
The global outbreak of COVID-19 infection is the first pandemic the world has experienced
in this 21 st century. The novel coronavirus 2019 (nCoV-19) also called the SARS-CoV-2 is …
in this 21 st century. The novel coronavirus 2019 (nCoV-19) also called the SARS-CoV-2 is …
Metabolites of vinca alkaloid vinblastine: tubulin binding and activation of nausea-associated receptors
CM Chagas, L Alisaraie - ACS omega, 2019 - ACS Publications
Vinblastine (VLB) is an antimitotic drug that binds to the vinca site of tubulin. The molecule
possesses a high molecular weight and a complex chemical structure with many …
possesses a high molecular weight and a complex chemical structure with many …
Discovery of potential scaffolds for glutaminyl cyclase inhibitors: Virtual screening, synthesis, and evaluation
Q Zhou, J Cai, F Qin, J Liu, C Li, W Xiong… - Bioorganic & Medicinal …, 2024 - Elsevier
Glutaminyl cyclase (QC) plays a crucial role in the early stages of Alzheimer's disease (AD),
thus inhibition of QC may be a promising strategy for the treatment of early AD. Therefore …
thus inhibition of QC may be a promising strategy for the treatment of early AD. Therefore …