Search Results - "Chagaleti, Bharath Kumar"
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Imidazooxazine moiety as polyketide synthase 13 inhibitors targeting tuberculosis
Published in Journal of King Saud University. Science (01-07-2024)“…Recently, imidazooxazineshave attracted more attention due to their therapeutic potential against tuberculosis (TB). The present study aimed to identify and…”
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Exploring cyclin-dependent kinase inhibitors: a comprehensive study in search of CDK-6 inhibitors using a pharmacophore modelling and dynamics approach
Published in RSC advances (16-11-2023)“…Cancer prevalence and resistance issues in cancer treatment are a significant public health concern globally. Among the existing strategies in cancer therapy,…”
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Ligand based pharmacophore modelling and integrated computational approaches in the quest for small molecule inhibitors against hCA IX
Published in RSC advances (17-01-2024)“…Carbonic anhydrase IX is an important biomarker to fight hypoxic tumours in both initial and metastatic stages of many forms of cancer. Overexpression of hCA…”
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Exploring the cyclization of thiosemicarbazone to 1,3,4-thiadiazole: Synthesis, characterization and in-silico study
Published in Journal of molecular structure (15-02-2025)“…•A series of isophorone-1,3,4-thiadiazoles 8a-c were synthesized.•Synthetic products are characterized by NMR and HRMS.•Molecular docking and dynamic…”
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1,5- diaryl pyrazole-loaded chitosan nanoparticles as COX-2 inhibitors, mitigate neoplastic growth by regulating NF-κB pathway in-vivo zebrafish model
Published in International journal of biological macromolecules (01-12-2024)“…Non-steroidal anti-inflammatory drugs (NSAIDs) have been researched for their capacity to reduce cancer incidence, primarily due to their COX-2 inhibition…”
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Thymol-1,2,3-triazole derivatives: Network pharmacology, molecular simulations and synthesis targeting breast cancer
Published in Journal of molecular structure (05-02-2025)“…•A series of 1,2,3-triazole derivatives tethered to p-methoxythymol, a natural product was synthesized and further elucidated by detailed analysis of their…”
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Multitargeted molecular docking and dynamics simulation of thymol-based chalcones against cancer protein markers: Synthesis, characterization, and computational study
Published in Journal of molecular structure (05-12-2024)“…•Novel thymol-chalcone–(4a-f) was synthesized.•The synthesized compounds were further characterized by HRMS, 1H and 13C NMR spectral data.•Molecular docking…”
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A novel brominated chalcone derivative as a promising multi-target inhibitor against multidrug-resistant Listeria monocytogenes
Published in Microbial pathogenesis (01-11-2024)“…Foodborne pathogens continue to challenge public health due to their ability to cause severe illness and their increasing resistance to current antimicrobial…”
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Discovery and development of COVID‐19 vaccine from laboratory to clinic
Published in Chemical biology & drug design (01-01-2024)“…The world has recently experienced one of the biggest and most severe public health disasters with severe acute respiratory syndrome coronavirus (SARS‐CoV‐2)…”
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Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation – A systematic computational approach to discover novel cancer therapeutics
Published in Computational biology and chemistry (01-10-2024)“…Global public health is confronted with significant challenges due to the prevalence of cancer and the emergence of treatment resistance. This work focuses on…”
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An overview of mechanism and chemical inhibitors of shikimate kinase
Published in Journal of biomolecular structure & dynamics (2023)“…Tuberculosis is a highly infectious disease other than HIV/AIDS and it is one of the top ten causes of death worldwide. Resistance development in the bacteria…”
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