Repurposing of drug molecules from FDA database against Hepatitis C virus E2 protein using ensemble docking approach
暂无分享,去创建一个
[1] A. Levey,et al. Safety and biomarker effects of candesartan in non-hypertensive adults with prodromal Alzheimer’s disease , 2022, Brain communications.
[2] A. Shehzad,et al. Hesperidin identified from Citrus extracts potently inhibits HCV genotype 3a NS3 protease , 2022, BMC Complementary Medicine and Therapies.
[3] T. Mostafa,et al. Effect of Candesartan and Ramipril on Liver Fibrosis in Patients with Chronic Hepatitis C Viral Infection: A Randomized Controlled Prospective Study , 2021, Current therapeutic research, clinical and experimental.
[4] J. Cohen,et al. Structural insights into hepatitis C virus receptor binding and entry , 2021, Nature.
[5] B. Li,et al. The Effects of Acarbose on Non-Diabetic Overweight and Obese Patients: A Meta-Analysis , 2021, Advances in Therapy.
[6] Y. Liu,et al. Computational strategy for intrinsically disordered protein ligand design leads to the discovery of p53 transactivation domain I binding compounds that activate the p53 pathway , 2020, Chemical science.
[7] Zhirong Liu,et al. Ensemble-Based Thermodynamics of the Fuzzy Binding between Intrinsically Disordered Proteins and Small-Molecule Ligands , 2020, J. Chem. Inf. Model..
[8] Zhibin Xu,et al. Using LeDock as a docking tool for computational drug design , 2019, IOP Conference Series: Earth and Environmental Science.
[9] Sally R. Ellingson,et al. Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations are Needed To Reproduce Known Ligand Binding? , 2019, The journal of physical chemistry. B.
[10] E. Uriarte,et al. Hesperidin as a Neuroprotective Agent: A Review of Animal and Clinical Evidence , 2019, Molecules.
[11] Wei Tian,et al. CASTp 3.0: computed atlas of surface topography of proteins , 2018, Nucleic Acids Res..
[12] David L. Penkler,et al. Perturbation-Response Scanning Reveals Key Residues for Allosteric Control in Hsp70 , 2017, J. Chem. Inf. Model..
[13] D. Dieterich,et al. HCV vertical transmission in pregnancy: New horizons in the era of DAAs , 2015, Hepatology.
[14] Jonas C. Ditz,et al. Properties of Organic Liquids when Simulated with Long-Range Lennard-Jones Interactions. , 2015, Journal of chemical theory and computation.
[15] Anne-Claude Camproux,et al. PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins , 2015, Nucleic Acids Res..
[16] Dima Kozakov,et al. The FTMap family of web servers for determining and characterizing ligand-binding hot spots of proteins , 2015, Nature Protocols.
[17] A. Atilgan,et al. Perturbation response scanning specifies key regions in subtilisin serine protease for both function and stability , 2015, Journal of enzyme inhibition and medicinal chemistry.
[18] Tingjun Hou,et al. Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility , 2014, J. Chem. Inf. Model..
[19] K. Thiel,et al. Hepatitis B and C in pregnancy: a review and recommendations for care , 2014, Journal of Perinatology.
[20] Rajendra Kumar,et al. g_mmpbsa - A GROMACS Tool for High-Throughput MM-PBSA Calculations , 2014, J. Chem. Inf. Model..
[21] L. Abu-Raddad,et al. Vertical Transmission of Hepatitis C Virus: Systematic Review and Meta-analysis , 2014, Clinical infectious diseases : an official publication of the Infectious Diseases Society of America.
[22] Andreas P. Eichenberger,et al. Definition and testing of the GROMOS force-field versions 54A7 and 54B7 , 2011, European Biophysics Journal.
[23] G. Dore,et al. Estimation of stage‐specific fibrosis progression rates in chronic hepatitis C virus infection: A meta‐analysis and meta‐regression , 2008, Hepatology.
[24] Z. Younossi,et al. Fatigue and Health-Related Quality of Life (HRQL) in Chronic Hepatitis C Virus Infection , 2007, Digestive Diseases and Sciences.
[25] Charles M. Rice,et al. Unravelling hepatitis C virus replication from genome to function , 2005, Nature.
[26] D. Thomas,et al. Natural history of hepatitis C. , 2005, Clinics in liver disease.
[27] David S. Wishart,et al. SuperPose: a simple server for sophisticated structural superposition , 2004, Nucleic Acids Res..
[28] J. McLauchlan,et al. Intramembrane proteolysis promotes trafficking of hepatitis C virus core protein to lipid droplets , 2002, The EMBO journal.
[29] J. McLauchlan,et al. The transmembrane domain of the hepatitis C virus E2 glycoprotein is required for correct folding of the E1 glycoprotein and native complex formation. , 2001, Virology.
[30] M. Houghton,et al. Binding of hepatitis C virus to CD81. , 1998, Science.
[31] R. Purcell,et al. Genetic Heterogeneity of Hepatitis C Virus: Quasispecies and Genotypes , 1995, Seminars in liver disease.
[32] Rommie E. Amaro,et al. Emerging methods for ensemble-based virtual screening. , 2010, Current topics in medicinal chemistry.
[33] N. Kato. Genome of human hepatitis C virus (HCV): gene organization, sequence diversity, and variation. , 2000, Microbial & comparative genomics.