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Showing posts from August, 2020

Note for: PaDEL‐descriptor An open source software to calculate molecular descriptors and fingerprints

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 Note for: PaDEL‐descriptor An open source software to calculate molecular descriptors and fingerprints Doi: 10.1002/jcc.21707 -         PaDEL – software for calculating molecular descriptors and finger prints o    797 descriptors include §   1D and 2D descriptors – 663 §   3D descriptors – 134 §   Fingerprints – 10 types o    Calculated using “the chemistry development kit” (CDK) -         Available @ http://padel.nus.edu.sg/software/padeldescriptor -         Molecular descriptor -- > converting chemical information into useful number/result of some standardized experiment o    Using for developing quantitative structure activity relationship (QSAR) models to predict biological activities of novel compounds o    Molecular descriptors – classified into 3 types §   1D, 2D and 3D Good molecular descriptor should be;   Free/ cheap so it is easily available to researcher   Open source – b

Biomarkers for Homologous Recombination Deficiency in Cancer

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 Note for: Biomarkers for Homologous Recombination Deficiency in Cancer Doi: 10.1093/jnci/djy085 Background: -           Defective in DNA repair is hallmark of cancer (Problem) -           HR-defective is of interest in clinical level due to its sensitivity to PARPi -           HR-defective measurement is important for the clinical trial design -           Identified method for HRD -- > varied and controversial -           If we understand more in this measurement, it would help the clinical trial design Aim: -           Summarize biology and clinical validation of current methods to measure HRD -           Helping in decision making to treat patients -           Informing indicators for HRD o    Germline BRCA1/2 mutation status o    Clinical response to Pt-based therapy o    Newer assay undergoing clinical validation §   Somatic mutation in HR genes §   Genomic scar assays using array-based comparative genomic hybridization (aCGH) §   Info derived