Related references
Note: Only part of the references are listed.Virtual screening of epalrestat mimicking selective ALR2 inhibitors from natural product database: auto pharmacophore, ADMET prediction and molecular dynamics approach
Shalki Choudhary et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)
In silico identification and validation of natural antiviral compounds as potential inhibitors of SARS-CoV-2 methyltransferase
Anshuman Chandra et al.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2022)
Designing and screening of fluoroquinolone substitutes using combined in silico approaches: biological metabolism-bioconcentration bilateral selection and their mechanism analyses
Qikun Pu et al.
GREEN CHEMISTRY (2022)
RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences
Stephen K. Burley et al.
NUCLEIC ACIDS RESEARCH (2021)
Receptor-Based Pharmacophore Modeling in the Search for Natural Products for COVID-19 Mpro
Mohd Saeed et al.
MOLECULES (2021)
Assessment of Antidiabetic Activity of the Shikonin by Allosteric Inhibition of Protein-Tyrosine Phosphatase 1B (PTP1B) Using State of Art: An In Silico and In Vitro Tactics
Mohd Saeed et al.
MOLECULES (2021)
Investigation of Antidepressant Properties of Yohimbine by Employing Structure-Based Computational Assessments
Munazzah Tasleem et al.
CURRENT ISSUES IN MOLECULAR BIOLOGY (2021)
ADMET profiling of geographically diverse phytochemical using chemoinformatic tools
Shehnaz Fatima et al.
FUTURE MEDICINAL CHEMISTRY (2020)
A shared comparison of diabetes mellitus and neurodegenerative disorders
Mahmoud Morsi et al.
JOURNAL OF CELLULAR BIOCHEMISTRY (2018)
Pharmacoinformatic Approach to Explore the Antidote Potential of Phytochemicals on Bungarotoxin from Indian Krait, Bungarus caeruleus
Barani Kumar Rajendran et al.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL (2018)
In silico approach for bioremediation of arsenic by structure prediction and docking studies of arsenite oxidase from Pseudomonas stutzeri TS44
Mymoona Akhter et al.
INTERNATIONAL BIODETERIORATION & BIODEGRADATION (2017)
NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity
Alan C. Pilon et al.
SCIENTIFIC REPORTS (2017)
Epalrestat protects against diabetic peripheral neuropathy by alleviating oxidative stress and inhibiting polyol pathway
Qing-rong Li et al.
NEURAL REGENERATION RESEARCH (2016)
Importance of hydrophobic parameters in identifying appropriate pose of CYP substrates in cytochromes
M. Ramesh et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2014)
Structural Characterization, Homology Modeling and Docking Studies of ARG674 Mutation in MyH8 Gene Associated with Trismus-Pseudocamptodactyly Syndrome
Munazzah Tasleem et al.
LETTERS IN DRUG DESIGN & DISCOVERY (2014)
The role of ligand efficiency metrics in drug discovery
Andrew L. Hopkins et al.
NATURE REVIEWS DRUG DISCOVERY (2014)
QSAR and Docking Studies on Capsazepine Derivatives for Immunomodulatory and Anti-Inflammatory Activity
Aparna Shukla et al.
PLOS ONE (2014)
Diabetic peripheral neuropathy: Current perspective and future directions
Randhir Singh et al.
PHARMACOLOGICAL RESEARCH (2014)
Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Liping Zhang et al.
FEBS LETTERS (2013)
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
Xuan-Yu Meng et al.
Current Computer-Aided Drug Design (2012)
Chinese Medicine in Diabetic Peripheral Neuropathy: Experimental Research on Nerve Repair and Regeneration
Yuanlin Piao et al.
EVIDENCE-BASED COMPLEMENTARY AND ALTERNATIVE MEDICINE (2012)
Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design
Sundarapandian Thangapandian et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2010)
Optimized Hydrophobic Interactions and Hydrogen Bonding at the Target-Ligand Interface Leads the Pathways of Drug-Designing
Rohan Patil et al.
PLOS ONE (2010)
Strong and weak hydrogen bonds in protein-ligand complexes of kinases: a comparative study
Sunil K. Panigrahi
AMINO ACIDS (2008)
Hot-spots-guided receptor-based pharmacophores (HS-Pharm): A knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores
Caterina Barillari et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2008)
Epalrestat: An aldose reductase inhibitor for the treatment of diabetic neuropathy
Mary Ann Ramirez et al.
PHARMACOTHERAPY (2008)
Long-term clinical effects of epalrestat, an aldose reductase inhibitor, on diabetic peripheral neuropathy - The 3-year, multicenter, comparative aldose reductase inhibitor-diabetes complications trial
Nigishi Hotta et al.
DIABETES CARE (2006)
The pathobiology of diabetic complications - A unifying mechanism
M Brownlee
DIABETES (2005)
Detailed analysis of grid-based molecular docking: A case study of CDOCKER - A CHARMm-based MD docking algorithm
GS Wu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)