Chandrasekhar Abbineni

Generative AI Framework SynGlue for the Rational Design of Clinically Relevant Protein Degraders

Saveena Solanki, Sanjay Kumar Mohanty, Shiva Satija, Sonam Chauhan et autres

This dataset contains processed protein-level quantitative proteomics results from a TMT-multiplex LC-MS/MS study of human 22Rv1 cells under vehicle and compound-treatment conditions at 6 h and 24 h. Files include filtered protein abundance and annotations, normalized protein abundance, and differential-expression statistics. Twenty-four …

Generative AI Framework SynGlue for the Rational Design of Clinically Relevant Protein Degraders

Saveena Solanki, Sanjay Kumar Mohanty, Shiva Satija, Sonam Chauhan et autres

This dataset contains processed protein-level quantitative proteomics results from a TMT-multiplex LC-MS/MS study of human 22Rv1 cells under vehicle and compound-treatment conditions at 6 h and 24 h. Files include filtered protein abundance and annotations, normalized protein abundance, and differential-expression statistics. Twenty-four …

Discovery of cyanocarbonimidodithioates as novel non-hydroxamate zinc-binding groups for selective HDAC8 inhibition: Design, synthesis, biological evaluation, anticancer activity, and in silico studies

Kosana Sai Chaitanya, Hrushikesh Chaudhari, Ashna Fathima, Suryansh Sengar et autres

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Author response for "Exploration of Non-Hydroxamate Based Quinoline Analogues as HDAC8 Inhibitors"

N. V. M. Rao Bandaru, Vandana Joshi, Markus Schweipert, Kosana Sai Chaitanya et autres

Abstract 5175: Discovery and characterization of once in a month intravenous and orally bioavailable SMARCA2 degraders for treating SMARCA4 mutant cancers

Bilash Kuila, Kiran Aithal, Sandeep Vitthal Dukare, Charamanna KB et autres

Abstract The BAF (SWI/SNF) chromatin remodelling complex is a multi-subunit assembly that regulates chromatin accessibility via ATP-dependent nucleosome repositioning, thereby modulating transcription, DNA recombination & repair, and mitotic chromosome segregation. Its catalytic activity is mediated by two mutually exclusive ATPases, SMARCA2 (BRM) …

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Abstract 5176: Selective degradation of SMARCA4 as a therapeutic strategy in SMARCA4 driven cancers

Bilash Kuila, Sandeep Dukare, Kiran Aithal B, Charamanna KB et autres

Abstract The BAF (SWI/SNF) chromatin remodelling complex regulates nucleosome positioning and DNA accessibility, influencing transcription, recombination, repair, and mitotic chromosome decatenation. It contains two mutually exclusive ATPases, SMARCA2 (BRM) and SMARCA4 (BRG1). SMARCA4 is frequently overexpressed in several cancers and is associated …

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Abstract 5177: Exceptionally selective and orally bioavailable p300 degraders for the treatment of CBP-mutant and p300-dependent cancers

Iram Khan Iqbal, K. Chaitanya T, Kishore Narayanan, Naveen Kumar R et autres

Abstract EP300 (or p300) acts as histone acetyltransferase (HAT) and transcriptional adapter or co-activator regulating transcription via chromatin remodelling. Both histone and non-histone proteins are acetylated by p300. p300 functions by scaffolding or as a co-activator and enhancer of different transcription factors …

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Targeted HDAC8 inhibition with non-hydroxamate [1,2,4]triazolo[4,3-a] quinoline compounds

N. V. M. Rao Bandaru, Ashna Fathima, Suryansh Sengar, Markus Schweipert et autres

Histone deacetylase 8 (HDAC8) is a key enzyme involved in regulating gene expression and tumor development, positioning it as an attractive target for neuroblastoma. In this work, we designed and synthesized a novel series of substituted [1,2,4]Triazolo[4,3-a]quinoline derivatives to investigate their potential …

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Exploration of non-hydroxamate based quinoline analogues as HDAC8 inhibitors

N. V. M. Rao Bandaru, Vandana Joshi, Markus Schweipert, Kosana Sai Chaitanya et autres

cellular activity, and two compounds, BHC-2 and BHC-10, showed promising activity in neuroblastoma cell lines (IMR-32 and SH-SY5Y). Based on both enzymatic and cellular assays, compounds BHC-2, BHC-10, and BHC-13 were selected for further evaluation using clonogenic growth assays, apoptosis assays, and …

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Abstract A030: Discovery and preclinical characterization of novel macrocyclic KIF18A Inhibitors for treatment of chromosomally instable tumors

Kiran Aithal B, Sandip Sengupta, N. Raghavendra, Aditya Kiran Gatta et autres

Abstract Chromosome instability (CIN) and Genetic instability are hallmark features of malignant tumor cells, contributing to tumour progression, drug resistance and metastasis. KIF18A, a member of the kinesin superfamily of motor proteins, is essential for preserving the structural integrity of the bipolar …

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Abstract C025: Identification of an orally bio-available SMARCA2 selective degrader for treatment of SMARCA4 mutant cancers

Bilash Kuila, Kiran Aithal, Sandeep Dukare, Charamanna KB et autres

Abstract The BAF (SWI/SNF) chromatin remodelling complex comprises two mutually exclusive ATP-dependent helicase subunits, SMARCA2 (BRM) and SMARCA4 (BRG1), which regulate chromatin architecture by mobilizing and repositioning nucleosomes on DNA. This activity is critical for various genomic functions, including transcriptional regulation, DNA …

in (code pays fourni par la source)

Generative AI Framework SynGlue for the Rational Design of Clinically relevant Protein Degraders

Saveena Solanki, Sanjay Kumar Mohanty, Shiva Satija, N.V.M. Rao Bandaru et autres

ABSTRACT The rational design of protein degraders, such as proteolysis-targeting chimeras (PROTACs), requires the simultaneous optimization of multiple molecular properties, a complex challenge that limits efficient discovery. Here, we introduce SynGlue, a generative artificial intelligence (AI) framework that addresses this challenge through …

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