BIOMAT Database Logo BIOMAT Database Logo

Structure-activity relationship studies of new acronine analogues as suggested by molecular descriptors. 2005

Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Departamento de Química, Instituto de Ciências Exatas, Universidade Federal Rural do Rio de Janeiro, Seropédica, Brasil.

This work describes the results of an investigation on the structure-activity relationships of a series of acronine (CAS 7008-42-6) analogues which possess cytotoxic and antitumor activity. The results were obtained employing a commercially available software, which correlates structure and activity through calculations with different descriptors. The best results, obtained with electrostatic descriptors, led to propose new structures which present higher calculated activity than that of acronine.

UI MeSH Term Description Entries
D007939 Leukemia L1210 An experimental LYMPHOCYTIC LEUKEMIA of mice. Leukemia L 1210,L 1210, Leukemia,L1210, Leukemia
D008958 Models, Molecular Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures. Molecular Models,Model, Molecular,Molecular Model
D008968 Molecular Conformation The characteristic three-dimensional shape of a molecule. Molecular Configuration,3D Molecular Structure,Configuration, Molecular,Molecular Structure, Three Dimensional,Three Dimensional Molecular Structure,3D Molecular Structures,Configurations, Molecular,Conformation, Molecular,Conformations, Molecular,Molecular Configurations,Molecular Conformations,Molecular Structure, 3D,Molecular Structures, 3D,Structure, 3D Molecular,Structures, 3D Molecular
D009626 Terminology as Topic Works about the terms, expressions, designations, or symbols used in a particular science, discipline, or specialized subject area. Etymology,Nomenclature as Topic,Etymologies
D012044 Regression Analysis Procedures for finding the mathematical function which best describes the relationship between a dependent variable and one or more independent variables. In linear regression (see LINEAR MODELS) the relationship is constrained to be a straight line and LEAST-SQUARES ANALYSIS is used to determine the best fit. In logistic regression (see LOGISTIC MODELS) the dependent variable is qualitative rather than continuously variable and LIKELIHOOD FUNCTIONS are used to find the best relationship. In multiple regression, the dependent variable is considered to depend on more than a single independent variable. Regression Diagnostics,Statistical Regression,Analysis, Regression,Analyses, Regression,Diagnostics, Regression,Regression Analyses,Regression, Statistical,Regressions, Statistical,Statistical Regressions
D002470 Cell Survival The span of viability of a cell characterized by the capacity to perform certain functions such as metabolism, growth, reproduction, some form of responsiveness, and adaptability. Cell Viability,Cell Viabilities,Survival, Cell,Viabilities, Cell,Viability, Cell
D004563 Electrochemistry The study of chemical changes resulting from electrical action and electrical activity resulting from chemical changes. Electrochemistries
D000175 Acronine A pyrano-acridone alkaloid found in RUTACEAE plants. Acronycine,Acronycin
D000465 Algorithms A procedure consisting of a sequence of algebraic formulas and/or logical steps to calculate or determine a given task. Algorithm
D000818 Animals Unicellular or multicellular, heterotrophic organisms, that have sensation and the power of voluntary movement. Under the older five kingdom paradigm, Animalia was one of the kingdoms. Under the modern three domain model, Animalia represents one of the many groups in the domain EUKARYOTA. Animal,Metazoa,Animalia

Related Publications

Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues.
July 1995, Journal of medicinal chemistry,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Structure-activity relationship studies of flavopiridol analogues.
May 2000, Bioorganic & medicinal chemistry letters,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Structure-activity relationship studies of curcumin analogues.
April 2009, Bioorganic & medicinal chemistry letters,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Structure-activity relationship studies of Longicalcynin A analogues, as anticancer cyclopeptides.
January 2020, Chemico-biological interactions,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Quantitative Structure-Activity Relationship Study of Camptothecin Derivatives as Anticancer Drugs Using Molecular Descriptors.
January 2019, Combinatorial chemistry & high throughput screening,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Structure-activity Relationship Studies of New Marine Anticancer Agents and their Synthetic Analogues.
January 2017, Current medicinal chemistry,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Synthesis and structure-activity relationship studies of LLY-507 analogues as SMYD2 inhibitors.
November 2020, Bioorganic & medicinal chemistry letters,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Synthesis and structure-activity relationship studies of MI-2 analogues as MALT1 inhibitors.
July 2018, Bioorganic & medicinal chemistry,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Quantitative structure-activity relationship studies of vitamin D receptor affinity for analogues of 1alpha,25-dihydroxyvitamin D3. 1: WHIM descriptors.
December 2005, Bioorganic & medicinal chemistry letters,
Miguel Rascado F Neto, and João Batista N DaCosta, and Carlos Mauricio R Sant'Anna, and José Walkimar M Carneiro
Statistical evaluation of molecular descriptors and quantitative structure-property relationship studies of retinoids.
July 1994, Journal of pharmaceutical and biomedical analysis,
Copied contents to your clipboard!