Related references
Note: Only part of the references are listed.Unsupervised machine learning, QSAR modelling and web tool development for streamlining the lead identification process of antimalarial flavonoids
J. H. Zothantluanga et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2023)
Towards designing of a potential new HIV-1 protease inhibitor using QSAR study in combination with Molecular docking and Molecular dynamics simulations
Mouna Baassi et al.
PLOS ONE (2023)
Nano-functionalization and evaluation of antimicrobial activity of Tinospora cordifolia against the TolB protein of Pseudomonas aeruginosa - An antibacterial and computational study
Himporna Nath et al.
FRONTIERS IN MICROBIOLOGY (2023)
The purple mangosteen (Garcinia mangostana): Defining the anticancer potential of selected xanthones
Mirielle C. Nauman et al.
PHARMACOLOGICAL RESEARCH (2022)
Flavonoid: A Natural Scaffold with Modulatory Activities on Diverse Cellular Signaling Pathways Related to Complex Diseases
Sandipan Chakraborty
CURRENT TOPICS IN MEDICINAL CHEMISTRY (2022)
In silico methods and tools for drug discovery
Bilal Shaker et al.
COMPUTERS IN BIOLOGY AND MEDICINE (2021)
Combined docking methods and molecular dynamics to identify effective antiviral 2, 5-diaminobenzophenonederivatives against SARS-CoV-2
Mebarka Ouassaf et al.
JOURNAL OF KING SAUD UNIVERSITY SCIENCE (2021)
Design, Synthesis, Computational and Biological Evaluation of Two New Series of 1, 3-and 1,6-dihydroxy Xanthone Derivatives as Selective COX-2 Inhibitors
Urvashee Gogoi et al.
LETTERS IN DRUG DESIGN & DISCOVERY (2021)
Rational approaches of drug design for the development of selective estrogen receptor modulators (SERMs), implicated in breast cancer
Subhajit Makar et al.
BIOORGANIC CHEMISTRY (2020)
Therapeutic potential of xanthones from Swertia chirata in breast cancer cells
Atish Barua et al.
INDIAN JOURNAL OF MEDICAL RESEARCH (2020)
admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties
Hongbin Yang et al.
BIOINFORMATICS (2019)
QSAR modeling for the prediction of pGI50 activity of compounds on LOX IMVI cell line and ligand-based design of potent compounds using in silico virtual screening
Bello Abdullahi Umar et al.
NETWORK MODELING AND ANALYSIS IN HEALTH INFORMATICS AND BIOINFORMATICS (2019)
Biological activity, quantitative structure-activity relationship analysis, and molecular docking of xanthone derivatives as anticancer drugs
Isnatin Miladiyah et al.
DRUG DESIGN DEVELOPMENT AND THERAPY (2018)
Gintonin absorption in intestinal model systems
Byung-Hwan Lee et al.
JOURNAL OF GINSENG RESEARCH (2018)
Xanthone Conjugated Amino Acids as Potential Anticancer and DNA Binding Agents: Molecular Docking, Cytotoxicity and SAR Studies
Kadallipura P. Rakesh et al.
ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY (2018)
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
Antoine Daina et al.
SCIENTIFIC REPORTS (2017)
Recent insight into the biological activities of synthetic xanthone derivatives
Shagufta et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2016)
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
Douglas E. V. Pires et al.
JOURNAL OF MEDICINAL CHEMISTRY (2015)
Quantitative and logic modelling of molecular and gene networks
Nicolas Le Novere
NATURE REVIEWS GENETICS (2015)
DFT Based QSAR/QSPR Models in the Development of Novel Anti-tuberculosis Drugs Targeting Mycobacterium tuberculosis
Sanchaita Rajkhowa et al.
CURRENT PHARMACEUTICAL DESIGN (2014)
Quantitative Structure-Activity Relationships of the Antimalarial Agent Artemisinin and Some of its Derivatives - A DFT Approach
Sanchaita Rajkhowa et al.
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING (2013)
Density functional and molecular docking studies towards investigating the role of single-wall carbon nanotubes as nanocarrier for loading and delivery of pyrazinamide antitubercular drug onto pncA protein
Nabanita Saikia et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)
The role of hydrogen bonds in protein-ligand interactions. DFT calculations in 1,3-dihydrobenzimidazole-2 thione derivatives with glycinamide as model HIV RT inhibitors
Robert Kretschmer et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2012)
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties
Feixiong Cheng et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2012)
Prenylated xanthones: antiproliferative effects and enhancement of the growth inhibitory action of 4-hydroxytamoxifen in estrogen receptor-positive breast cancer cell line
Ana Mafalda Paiva et al.
MEDICINAL CHEMISTRY RESEARCH (2012)
Targeting MET in cancer: rationale and progress
Ermanno Gherardi et al.
NATURE REVIEWS CANCER (2012)
A Bond by Any Other Name
Gautam R. Desiraju
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Definition of the hydrogen bond (IUPAC Recommendations 2011)
Elangannan Arunan et al.
PURE AND APPLIED CHEMISTRY (2011)
Advances in computational methods to predict the biological activity of compounds
Chanin Nantasenamat et al.
EXPERT OPINION ON DRUG DISCOVERY (2010)
Recent cancer drug development with xanthone structures
Younghwa Na
JOURNAL OF PHARMACY AND PHARMACOLOGY (2010)
COMPUTATIONAL TOXICOLOGY AS IMPLEMENTED BY THE US EPA: PROVIDING HIGH THROUGHPUT DECISION SUPPORT TOOLS FOR SCREENING AND ASSESSING CHEMICAL EXPOSURE, HAZARD AND RISK
Robert Kavlock et al.
JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART B-CRITICAL REVIEWS (2010)
How do BCL-2 proteins induce mitochondrial outer membrane permeabilization?
Jerry E. Chipuk et al.
TRENDS IN CELL BIOLOGY (2008)
Small molecule obatoclax (GX15-070) antagonizes MCL-1 and overcomes MCL-1-mediated resistance to apoptosis
Mai Nguyen et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Principles of QSAR models validation: internal and external
Paola Gramatica
QSAR & COMBINATORIAL SCIENCE (2007)
Xanthones as antimalarial agents: Discovery, mode of action, and optimization
M Riscoe et al.
CURRENT MEDICINAL CHEMISTRY (2005)
Xanthone derivatives: New insights in biological activities
MMM Pinto et al.
CURRENT MEDICINAL CHEMISTRY (2005)
Synthesis and QSAR study of the anticancer activity of some novel indane carbocyclic nucleosides
SW Yao et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2003)
HSAB principle applied to the time evolution of chemical reactions
PK Chattaraj et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Structure of the extracellular region of HER2 alone and in complex with the Herceptin Fab
HS Cho et al.
NATURE (2003)
Xanthones as inhibitors of growth of human cancer cell lines and their effects on the proliferation of human lymphocytes in vitro
M Pedro et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2002)
Molecular properties that influence the oral bioavailability of drug candidates
DF Veber et al.
JOURNAL OF MEDICINAL CHEMISTRY (2002)
A new class of nonsteroidal aromatase inhibitors:: Design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17α-hydroxylase/C17,20-lyase
M Recanatini et al.
JOURNAL OF MEDICINAL CHEMISTRY (2001)
Untangling the ErbB signalling network
Y Yarden et al.
NATURE REVIEWS MOLECULAR CELL BIOLOGY (2001)
Cell signaling by receptor tyrosine kinases
J Schlessinger
CELL (2000)
Share Paper
