N.V.M. Rao Bandaru

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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SKP, CULLIN, F-BOX COMPLEX: MASTER REGULATOR OF METABOLIC ADAPTATIONS IN CANCER CELLS

N.V.M. Rao Bandaru, Naga Rani Kagithala, Mohan Gandhi Bonthu, Dodda Thulase Nadhreddy

The Skp, Cullin, and F-Box complex stands as a pivotal regulatory entity in cellular metabolism, exerting profound influence over metabolic adaptations crucial to cancer cell survival and proliferation. Operating at the intersection of ubiquitination and signalling pathways, the SCF complex orchestrates degradation …

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Design, synthesis, and biological evaluation of substituted benzyl-triazolopyridine derivatives as non-hydroxamate based HDAC8 inhibitors

N.V.M. Rao Bandaru, Ashna Fathima, Vandana Joshi, Markus Schweipert et autres

Traditional Histone deacetylase 8 (HDAC8) inhibitors primarily rely on hydroxamate-based scaffolds. However, there is a growing interest in developing non-hydroxamate inhibitors to overcome potential limitations with hydroxamate-based inhibitors. In this study, we report the design, synthesis, and evaluation of a series of …

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Design, synthesis, and biological evaluation of novel quinoxaline aryl ethers as anticancer agents

Srinuvasu Nakka, Asif Raza, Kosana Sai Chaitanya, N.V.M. Rao Bandaru et autres

Abstract We designed and synthesized thirty novel quinoxaline aryl ethers as anticancer agents, and the structures of final compounds were confirmed with various analytical techniques like Mass, 1H NMR, 13C NMR, FTIR, and elemental analyses. The compounds were tested against three cancer …

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Design, Synthesis, and Biological Evaluation of Triazoloquinoline Derivatives as Non-Hydroxamate HDAC8 Inhibitors

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

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Design, Synthesis, and Biological Evaluation of Novel Quinazolin-4(3H)-one-Based Histone Deacetylase 6 (HDAC6) Inhibitors for Anticancer Activity

Yogesh Mahadu Khetmalis, Ashna Fathima, Markus Schweipert, Cécile Debarnot et autres

A series of novel quinazoline-4-(3H)-one derivatives were designed and synthesized as histone deacetylase 6 (HDAC6) inhibitors based on novel quinazoline-4-(3H)-one as the cap group and benzhydroxamic acid as the linker and metal-binding group. A total of 19 novel quinazoline-4-(3H)-one analogues (5a–5s) were …

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Design, synthesis, and biological evaluation of phenyl thiazole-based AR-V7 degraders

Archana Bhumireddy, N.V.M. Rao Bandaru, B. Raghurami Reddy, Suraj T. Gore et autres

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