A. Ganesan
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View article: Crossing the Divide: A Transitional Undergraduate Research Project in Medicinal Chemistry
Crossing the Divide: A Transitional Undergraduate Research Project in Medicinal Chemistry Open
View article: Protein domain movement involved in binding of belinostat and HPOB as inhibitors of histone deacetylase 6 (HDAC6): a hybrid automated-interactive docking study
Protein domain movement involved in binding of belinostat and HPOB as inhibitors of histone deacetylase 6 (HDAC6): a hybrid automated-interactive docking study Open
DockIT is a tool for interactive molecular docking that can model both the local and global conformational response of the receptor to the docking of a ligand based on information from a molecular dynamics simulation. Using DockIT we have …
View article: Tranylcypromine-Based LSD1 Inhibitors as Useful Agents to Reduce Viability of <i>Schistosoma mansoni</i>
Tranylcypromine-Based LSD1 Inhibitors as Useful Agents to Reduce Viability of <i>Schistosoma mansoni</i> Open
Schistosoma infections remain a major public health issue mainly in tropical and subtropical regions. While Praziquantel is the primary treatment for schistosomiasis, its limitations include resistance development and poor efficacy …
View article: Interactive Docking Workshop: Docking the Anticancer Drug Belinostat to Its Cellular Histone Deacetylase (HDAC) Target
Interactive Docking Workshop: Docking the Anticancer Drug Belinostat to Its Cellular Histone Deacetylase (HDAC) Target Open
DockIT is an interactive molecular docking tool suitable for teaching students about concepts related to drug–receptor interaction. Its most unique feature is the ability to model both local and global conformational change in the receptor…
View article: Synthesis of a <i>Trans</i> ‐Phakellistatin 21/22 Conformer and Related Alanine Scanning Analogs With Neuroprotective Activity
Synthesis of a <i>Trans</i> ‐Phakellistatin 21/22 Conformer and Related Alanine Scanning Analogs With Neuroprotective Activity Open
The phakellistatins are a class of cyclic peptide natural products among which phakellistatin 21 and 22 isolated from the marine sponge Stylissa flabelliformis are cyclo (Pro 1 ‐Pro 2 ‐Met(O) 3 ‐Phe 4 ‐Glu 5 ‐Leu 6 ‐Pro 7 ‐Pro 8 ‐Tyr 9 ‐Il…
View article: The cytochalasans: potent fungal natural products with application from bench to bedside
The cytochalasans: potent fungal natural products with application from bench to bedside Open
Cytochalasans are fungal natural products with diverse structures and biomedical potential. This review explores their diversity, biosynthesis, pharmacokinetics, drug-likeness, and therapeutic potential.
View article: Design, Synthesis, and Biological Evaluation of Potent EZH2/LSD1 Dual Inhibitors for Prostate Cancer
Design, Synthesis, and Biological Evaluation of Potent EZH2/LSD1 Dual Inhibitors for Prostate Cancer Open
As histone modification enzymes, EZH2 mediates H3K27 trimethylation (H3K27me3), whereas LSD1 removes methyl groups from H3K4me1/2 and H3K9me1/2. Synergistic anticancer effects of combining inhibitors of these two enzymes are observed in le…
View article: Phytochemicals in Drug Discovery—A Confluence of Tradition and Innovation
Phytochemicals in Drug Discovery—A Confluence of Tradition and Innovation Open
Phytochemicals have a long and successful history in drug discovery. With recent advancements in analytical techniques and methodologies, discovering bioactive leads from natural compounds has become easier. Computational techniques like m…
View article: Caudiquinol: A Meroterpenoid with an Intact C20 Geranylgeranyl Chain Isolated from Garcinia caudiculata
Caudiquinol: A Meroterpenoid with an Intact C20 Geranylgeranyl Chain Isolated from Garcinia caudiculata Open
The tropical Garcinia genus of flowering plants is a prolific producer of aromatic natural products including polyphenols, flavonoids, and xanthones. In this study, we report the first phytochemical investigation of Garcinia caudiculata Ri…
View article: Phytochemicals in Drug Discovery - A Confluence of Tradition and Innovation
Phytochemicals in Drug Discovery - A Confluence of Tradition and Innovation Open
Phytochemicals have a long and successful history in drug discovery. With recent advancements in analytical techniques and methodologies, discovering bioactive leads from natural compounds has become easier. Computational techniques like m…
View article: Phytochemicals in Drug Discovery - A Confluence of Tradition and Innovation
Phytochemicals in Drug Discovery - A Confluence of Tradition and Innovation Open
Phytochemicals have a long and successful history in drug discovery. With recent advancements in analytical techniques and methodologies, discovering bioactive leads from natural compounds has become easier. Computational techniques like m…
View article: Review of: "Inhibition Success of a Virtually Created Molecule: Pseudoeriocitrin and Femtomolar Inhibition"
Review of: "Inhibition Success of a Virtually Created Molecule: Pseudoeriocitrin and Femtomolar Inhibition" Open
Potential competing interests: No potential competing interests to
View article: Frontmatter
Frontmatter Open
Synthesis and structural analysis of D-fructofuranosylated compounds for
View article: Synthesis of Altissimacoumarin D and Other Prenylated Coumarins and Their Ability to Reverse the Multidrug Resistance Phenotype in Candida albicans
Synthesis of Altissimacoumarin D and Other Prenylated Coumarins and Their Ability to Reverse the Multidrug Resistance Phenotype in Candida albicans Open
Azoles are the main antifungal agents employed in clinical practice to treat invasive candidiasis. Nonetheless, their efficacy is limited by fungal resistance mechanisms, mainly the overexpression of efflux pumps. Consequently, candidiasis…
View article: Dual LSD1 and HDAC6 Inhibition Induces Doxorubicin Sensitivity in Acute Myeloid Leukemia Cells
Dual LSD1 and HDAC6 Inhibition Induces Doxorubicin Sensitivity in Acute Myeloid Leukemia Cells Open
Defects in epigenetic pathways are key drivers of oncogenic cell proliferation. We developed a LSD1/HDAC6 multitargeting inhibitor (iDual), a hydroxamic acid analogue of the clinical candidate LSD1 inhibitor GSK2879552. iDual inhibits both…
View article: Discovery of 1-Benzhydryl-Piperazine-Based HDAC Inhibitors with Anti-Breast Cancer Activity: Synthesis, Molecular Modeling, In Vitro and In Vivo Biological Evaluation
Discovery of 1-Benzhydryl-Piperazine-Based HDAC Inhibitors with Anti-Breast Cancer Activity: Synthesis, Molecular Modeling, In Vitro and In Vivo Biological Evaluation Open
Isoform-selective histone deacetylase (HDAC) inhibition is promoted as a rational strategy to develop safer anti-cancer drugs compared to non-selective HDAC inhibitors. Despite this presumed benefit, considerably more non-selective HDAC in…
View article: Discovery of 1-benzhydryl piperazine-based HDAC inhibitors with anti-cancer and anti-metastatic properties against human breast cancer: synthesis, molecular modeling, in vitro and in vivo biological evaluation
Discovery of 1-benzhydryl piperazine-based HDAC inhibitors with anti-cancer and anti-metastatic properties against human breast cancer: synthesis, molecular modeling, in vitro and in vivo biological evaluation Open
Isoform-selective histone deacetylase (HDAC) inhibition is promoted as a rational strategy to develop safer anti-cancer drugs compared to non-selective HDAC inhibitors. Despite this presumed benefit, considerably more non-selective HDAC in…
View article: Euglenatides, Potent Antiproliferative Cyclic Peptides Isolated from the Freshwater Photosynthetic Microalga <i>Euglena gracilis</i>
Euglenatides, Potent Antiproliferative Cyclic Peptides Isolated from the Freshwater Photosynthetic Microalga <i>Euglena gracilis</i> Open
By limiting the nitrogen source to glutamic acid, we isolated cyclic peptides from Euglena gracilis containing asparagine and non‐proteinogenic amino acids. Structure elucidation was accomplished through spectroscopic methods, mass spectro…
View article: Euglenatides, Potent Antiproliferative Cyclic Peptides Isolated from the Freshwater Photosynthetic Microalga <i>Euglena gracilis</i>
Euglenatides, Potent Antiproliferative Cyclic Peptides Isolated from the Freshwater Photosynthetic Microalga <i>Euglena gracilis</i> Open
By limiting the nitrogen source to glutamic acid, we isolated cyclic peptides from Euglena gracilis containing asparagine and non‐proteinogenic amino acids. Structure elucidation was accomplished through spectroscopic methods, mass spectro…
View article: Discovery of 1-benzhydryl piperazine-based HDAC inhibitors with anticancer and antimetastatic properties against human breast cancer: synthesis, molecular modeling, in vitro and in vivo biological evaluation
Discovery of 1-benzhydryl piperazine-based HDAC inhibitors with anticancer and antimetastatic properties against human breast cancer: synthesis, molecular modeling, in vitro and in vivo biological evaluation Open
Selective histone deacetylase 6 (HDAC6) inhibition is promoted as a rational strategy to develop safer anticancer drugs compared to nonselective HDAC inhibitors. Nevertheless, considerably more nonselective HDAC inhibitors have been underg…
View article: From Hit Seeking to Magic Bullets: The Successful Union of Epigenetic and Fragment Based Drug Discovery (EPIDD + FBDD)
From Hit Seeking to Magic Bullets: The Successful Union of Epigenetic and Fragment Based Drug Discovery (EPIDD + FBDD) Open
We review progress in the application of fragment-based drug discovery (FBDD) to epigenetic drug discovery (EPIDD) targeted at epigenetic writer and eraser enzymes as well as reader domains over the last 15 years. The greatest successes to…
View article: Synthesis of Carboxamide‐Containing Tranylcypromine Analogues as LSD1 (KDM1A) Inhibitors Targeting Acute Myeloid Leukemia
Synthesis of Carboxamide‐Containing Tranylcypromine Analogues as LSD1 (KDM1A) Inhibitors Targeting Acute Myeloid Leukemia Open
Lysine‐specific demethylase 1 (LSD1/KDM1A) oxidatively removes methyl groups from histone proteins, and its aberrant activity has been correlated with cancers including acute myeloid leukemia (AML). We report a novel series of tranylcyprom…
View article: Synthesis of Carboxamides Tranylcypromine Analogues as LSD1 (KDM1A) Inhibitors for AML
Synthesis of Carboxamides Tranylcypromine Analogues as LSD1 (KDM1A) Inhibitors for AML Open
Lysine-specific demethylase 1 (LSD1/KDM1A) oxidatively removes methyl groups from histone proteins and its aberrant activity has been correlated with cancers including acute myeloid leukemia (AML). We report a novel series of tranylcypromi…
View article: The clinical landscape of HDAC inhibitors
The clinical landscape of HDAC inhibitors Open
There are eleven human isoforms of the zinc-dependent histone deacetylases (HDACs). These proteins are involved in the removal of acetyl and fatty acid acyl chains from polyamines and lysine residues in proteins. Of particular importance i…
View article: Insights into the Structure-Activity Relationship of Glycosides as Positive Allosteric Modulators Acting on P2X7 Receptors
Insights into the Structure-Activity Relationship of Glycosides as Positive Allosteric Modulators Acting on P2X7 Receptors Open
View article: Editorial overview: Epigenetics equals chemical biology
Editorial overview: Epigenetics equals chemical biology Open
View article: Pharmacological inhibition of lysine-specific demethylase 1 (LSD1) induces global transcriptional deregulation and ultrastructural alterations that impair viability in Schistosoma mansoni
Pharmacological inhibition of lysine-specific demethylase 1 (LSD1) induces global transcriptional deregulation and ultrastructural alterations that impair viability in Schistosoma mansoni Open
Treatment and control of schistosomiasis still rely on only one effective drug, praziquantel (PZQ) and, due to mass treatment, the increasing risk of selecting for schistosome strains that are resistant to PZQ has alerted investigators to …
View article: Thirty Years of HDAC Inhibitors: 2020 Insight and Hindsight
Thirty Years of HDAC Inhibitors: 2020 Insight and Hindsight Open
It is now 30 years since the first report of a potent zinc-dependent histone deacetylase (HDAC) inhibitor appeared. Since then, five HDAC inhibitors have received regulatory approval for cancer chemotherapy while many others are in clinica…
View article: New tranylcypromine derivatives containing sulfonamide motif as potent LSD1 inhibitors to target acute myeloid leukemia: Design, synthesis and biological evaluation
New tranylcypromine derivatives containing sulfonamide motif as potent LSD1 inhibitors to target acute myeloid leukemia: Design, synthesis and biological evaluation Open
View article: Synthesis of Carboxamides Tranylcypromine Analogues as LSD1 (KDM1A) Inhibitors for AML
Synthesis of Carboxamides Tranylcypromine Analogues as LSD1 (KDM1A) Inhibitors for AML Open
Lysine-specific demethylase 1 (LSD1/KDM1A) oxidatively removes methyl groups from histone proteins and its aberrant activity has been correlated with cancers including acute myeloid leukemia (AML). We report a novel series of tranylcypromi…