Anticoronaviral Activity of the Natural Phloroglucinols, Dryocrassin ABBA and Filixic Acid ABA from the Rhizome of <i>Dryopteris crassirhizoma</i> by Targeting the Main Protease of... by Young-Hee Jin, Sangeun Jeon, Jihye Lee, Seungtaek Kim, Min Seong Jang, Chul Min Park, Jong Hwan Song, Hyoung Rae Kim, Sunoh Kwon

“…Pharmacokinetic studies of dryocrassin ABBA showed good microsomal stability, low hERG inhibition, and low CYP450 inhibition. In vivo pharmacokinetic properties of dryocrassin ABBA showed a long half-life (5.5–12.6 h) and high plasma exposure (AUC 19.3–65 μg·h/mL). …”
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Spironolactone as a Potential New Treatment to Prevent Arrhythmias in Arrhythmogenic Cardiomyopathy Cell Model by Jean-Baptiste Reisqs, Adrien Moreau, Yvonne Sleiman, Azzouz Charrabi, Antoine Delinière, Francis Bessière, Kevin Gardey, Sylvain Richard, Philippe Chevalier

“…SP and CA corrected the APD in the muted cells (vs. the control) in linking to a normalization of the hERG and KCNQ1 K⁺ channel currents. In addition, SP and CA had a direct cellular effect on Ca²⁺ homeostasis. …”
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Picomolar inhibitor of reverse transcriptase featuring significantly improved metabolic stability by Ya-Li Sang, Christophe Pannecouque, Erik De Clercq, Shuai Wang, Fen-Er Chen

“…It displayed no apparent inhibition of CYP enzymes and hERG. The acute toxicity assay did not cause death and pathological damage in mice at a single dose of 2 g/kg. …”
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Mode of Action Analyses of Neferine, a Bisbenzylisoquinoline Alkaloid of Lotus (Nelumbo nucifera) against Multidrug-Resistant Tumor Cells by Onat Kadioglu, Betty Y. K. Law, Simon W. F. Mok, Su-Wei Xu, Thomas Efferth, Vincent K. W. Wong

“…Lipinski rule of five were mainly considered for the ADME evaluation and the preset descriptors including number of hydrogen bond donor, acceptor, hERG IC50, logp, logD were considered for the QSAR analyses. …”
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Synthesis and Receptor Binding Studies of α5 GABA_AR Selective Novel Imidazodiazepines Targeted for Psychiatric and Cognitive Disorders by Dishary Sharmin, Md Yeunus Mian, Michael Marcotte, Thomas D. Prevot, Etienne Sibille, Jeffrey M. Witkin, James M. Cook

“…The novel ligands were screened at the NIMH PDSP against a panel of 47 receptors, ion channels, including hERG, and transporters to identify on- and off-target interactions. …”
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Discovery of a novel natural compound, vitekwangin B, with ANO1 protein reduction properties and anticancer potential by Yohan Seo, Sion Lee, Minuk Kim, Dongguk Kim, Sung Baek Jeong, Raju Das, Armin Sultana, SeonJu Park, Nguyen Xuan Nhiem, Phan Thi Thanh Huong, Oh-Bin Kwon, Wan Namkung, Joohan Woo, Joohan Woo

“…Moreover, it exhibited minimal toxicity to liver cells and did not affect hERG channel activity, making it a promising candidate for further development as an anticancer drug.Conclusion: Vitekwangin B may offer a new direction for cancer therapy by targeting ANO1 protein, potentially improving treatment outcomes in patients with prostate cancer and NSCLC. …”
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2,6-Bis(2-Benzimidazolyl)Pyridine (BBP) Is a Potent and Selective Inhibitor of Small Conductance Calcium-Activated Potassium (SK) Channels by Rafel Simó-Vicens, Rafel Simó-Vicens, Sofia H. Bomholtz, Sofia H. Bomholtz, Ulrik S. Sørensen, Bo H. Bentzen, Bo H. Bentzen

“…BBP did not have any effect on IK, Kir2.1, Kir3.1+Kir3.4, Kv1.5, Kv4.3/KCHIP2 and Kv7.1/KCNE1 currents and was 4.8-fold and 46-fold more potent on all SK channel subtypes vs. BK and hERG channels, respectively. Moreover, we were able to identify H491 as a critical amino acid for the pharmacological effect of BBP on the SK channel. …”
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Exercise and Childhood Cancer—A Historical Review by Javier S. Morales, Pedro L. Valenzuela, Daniel Velázquez-Díaz, Adrián Castillo-García, David Jiménez-Pavón, Alejandro Lucia, Carmen Fiuza-Luces

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Elevated heart rate triggers action potential alternans and sudden death. translational study of a homozygous KCNH2 mutation. by Ulrich Schweigmann, Peter Biliczki, Rafael J Ramirez, Christoph Marschall, Ina Takac, Ralf P Brandes, Dieter Kotzot, Zenawit Girmatsion, Stefan H Hohnloser, Joachim R Ehrlich

“…Homozygous KCNH2 mutations underlying LQTS-2 have previously been termed "human HERG knockout" and typically express severe phenotypes. …”
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Anesthesiologists’ conceptions of learning anesthesia in the context of their specialty training program: a phenomenographic study by Hanna Chin, Åke Ingerman, Helena Odenstedt Hergès

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Secondary metabolites of Trichoderma spp. as EGFR tyrosine kinase inhibitors: Evaluation of anticancer efficacy through computational approach. by H G Gowtham, Prasanna D Revanasiddappa, Mahadevamurthy Murali, Sudarshana Brijesh Singh, M R Abhilash, Sushma Pradeep, Chandan Shivamallu, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Natalia Manturova, Ali A Shati, Mohammad Y Alfaifi, Serag Eldin I Elbehairi, Shiva Prasad Kollur

“…Besides, the in silico predication of pharmacokinetic properties further confirmed that Aspochalasin M qualified the drug-likeness rules with no harmful side effects (viz., hERG toxicity, hepatotoxicity and skin sensitization), non-mutagenicity and favourable logBB value. …”
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Protective Role of Quercetin in Carbon Tetrachloride Induced Toxicity in Rat Brain: Biochemical, Spectrophotometric Assays and Computational Approach by Seema Zargar, Tanveer A. Wani

“…The results identified by BzScore4 D showed moderate binding between quercetin and the following receptors: glucocorticoids, estrogen beta, and androgens and weak binding between quercetin and the following proteins: estrogen alpha, Peroxisome proliferator-activated receptors (PPARγ), Herg k+ channel, Liver x, mineralocorticoid, progesterone, Thyroid α, and Thyroid β. …”
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Mechanisms underlying the antiarrhythmic effect of ARumenamide-787 in experimental models of the J wave syndromes and hypothermia. by José M Di Diego, Hector Barajas-Martinez, Robert Cox, Victoria M Robinson, Joseph Jung, Mohamed Fouda, Bence Patocskai, Mena Abdelsayed, Peter C Ruben, Charles Antzelevitch

“…<h4>Methods</h4>We studied the effects of AR-787 on INa and IKr in HEK-293 cells stably expressing the α- and β1-subunits of the cardiac (NaV1.5) sodium channel and hERG channel, respectively. In addition, we studied its effect on Ito, INa and ICa in dissociated canine ventricular myocytes along with action potentials and ECG from coronary-perfused right (RV) and left (LV) ventricular wedge preparations. …”
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The role of potassium channel activation in celecoxib-induced analgesic action. by Yao Mi, Xuan Zhang, Fan Zhang, Jinlong Qi, Haixia Gao, Dongyang Huang, Li Li, Hailin Zhang, Xiaona Du

“…For instance, ion channels such as the voltage-gated sodium channel, L-type calcium channel, Kv2.1, Kv1.5, Kv4.3 and HERG potassium channel were all reported to be inhibited by CXB. …”
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In Silico Taste–Toxicity Study of New Hypothetical Hetero-Abiraterone Derivatives by Kafa Khalaf

“…Also, Abiraterone (A) has a poor water solubility leading to high intestinal absorption, moderate total clearance, and giving inhibition reaction to Cytochrome P450 type CYP2C19, hERG II, and Ames test. These results confirmed that Abiraterone is structurally less harmful acute class with highly chance to interact with cell components resulting lethal response. …”
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Investigation of the cellular pharmacological mechanism and clinical evidence of the multi-herbal antiarrhythmic chinese medicine Xin Su Ning by Ma, Y-L, Hu, R-M, Yang, X, Wang, T, Noble, PJ, Wilkins, R, Ellory, C, Carr, C, Noble, D

“…In conclusion, XSN is an effective multicomponent antiarrhythmic medicine to treat PVC without adverse effect in patients, which is convincingly supported by its class I & III pharmacological antiarrhythmic mechanism of blocking hERG potassium channels and hNaV1.5 sodium channel reported in our earlier publication and prolongs AP duration both in ventricular myocytes and with computational simulation of human AP presented in this report.…”

Variability in high−throughput ion channel screening data and consequences for cardiac safety assessment by Elkins, R, Davies, M, Brough, S, Gavaghan, D, Cui, Y, Abi−Gerges, N, Mirams, G

“…Methods: we quantified the variability associat11 ed with concentration-effect curves fitted to recordings from high-throughput Molecular Devices IonWorks® Quattro— screens when detecting block of IKr (hERG), INa (NaV1.5), ICaL (CaV1.2), IKs (KCNQ1/minK) and Ito Kv4.3/KChIP2.2), and the Molecular Devices FLIPR® Tetra fluorescence screen for ICaL (CaV1.2), for control compounds used at AstraZeneca and GlaxoSmithKline. …”

Human induced pluripotent stem cell-derived versus adult cardiomyocytes: an in silico electrophysiological study on effects of ionic current block by Paci, M, Hyttinen, J, Rodriguez, B, Severi, S

“…Their combination was recently proposed as a potential replacement for the present hERG-based QT study for pharmacological safety assessments. …”

Structure-based design and optimization lead to the identification of novel dihydrothiopyrano[3,2-d]pyrimidine derivatives as potent HIV-1 inhibitors against drug-resistant variant... by Zhao Wang, Heng Zhang, Zhen Gao, Zihao Sang, Erik De Clercq, Christophe Pannecouque, Dongwei Kang, Peng Zhan, Xinyong Liu

“…Furthermore, no apparent inhibition of the major CYP450 enzymes and hERG channel was observed for 23h. Most importantly, 23h was characterized by good pharmacokinetic properties and excellent safety in vivo. …”
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Biological evaluation and in silico studies of novel compounds as potent TAAR1 agonists that could be used in schizophrenia treatment by Yunjie Wang, Zhaofeng Liu, Jing Lu, Wenyan Wang, Lin Wang, Yifei Yang, Hongbo Wang, Liang Ye, Jianzhao Zhang, Jingwei Tian

“…To evaluate the druggability of the compounds, we conducted evaluations of permeability and transporter substrates, liver microsomal stability in vitro, human ether-à-go-go-related gene (hERG), pharmacokinetics, and tissue distribution.Results: We discovered two TAAR1 agonists: compounds 50A and 50B. …”
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