All Stories

  1. In Silico identification of natural and synthetic inhibitors targeting KRAS mutants (G12D, G12V, and G12C) and wild-type in pancreatic cancer

    Article • Journal of Molecular Graphics and Modelling, November 2026, Elsevier

    Mr Sudheer Kumar Katari

  2. Computational Exploration of Mutant SARS-CoV-2 Main Protease as a Target for Binding and Inhibition Attributes Utilizing Antiviral Drugs for Therapeutic Application

    Article • Molecular Modeling Connect, June 2026, Scifiniti Publishing

    Mr Sudheer Kumar Katari

  3. Computational Investigation of Selected Antivirals and mAbs Targeting the RBD of Omicron to Get Insights into Structure and Binding Attributes

    Article • Molecular Modeling Connect, May 2026, Scifiniti Publishing

    Mr Sudheer Kumar Katari

  4. Targeting TMPRSS2 for Prostate Cancer Therapy: A Multi-Step Computational Approach for Identifying Novel Inhibitors

    Article • Current Drug Discovery Technologies, April 2026, Bentham Science Publishers

    Mr Sudheer Kumar Katari

  5. Decoding gout pathogenesis: target discovery and drug design through computational models

    Article • In Silico Pharmacology, November 2025, Springer Science + Business Media

    Mr Sudheer Kumar Katari

  6. In Silico target identification and drug discovery for 5-proFAR isomerase inhibitors in critical fungal pathogens

    Article • Chemical Product and Process Modeling, October 2025, De Gruyter

    Mr Sudheer Kumar Katari

  7. Synthesis, Molecular Docking Studies and Biological Evaluation of N-(α-Benzamido Cinnamoyl) Piperonal Hydrazones

    Article • Letters in Drug Design & Discovery, September 2024, Bentham Science Publishers

    Professor Amineni Umamaheswari, Galla Rajitha, SARITHA Karnati, Mr Sudheer Kumar Katari

  8. Mutation Analysis of SARS-CoV-2 Variants Isolated from Symptomatic Cases from Andhra Pradesh, India

    Article • Viruses, July 2023, MDPI AG

    Mr Sudheer Kumar Katari

  9. Molecular Characterization and Identification of Potential Inhibitors for ‘E’ Protein of Dengue Virus

    Article • Viruses, April 2022, MDPI AG

    Mr Sudheer Kumar Katari

  10. In silico trials to design potent inhibitors against matrilysin (MMP-7)

    Article • Journal of Biomolecular Structure and Dynamics, August 2021, Taylor & Francis

    Professor Amineni Umamaheswari, Mr Sudheer Kumar Katari

  11. In silico exploration of lignin peroxidase for unraveling the degradation mechanism employing lignin model compounds

    Article • RSC Advances, January 2021, Royal Society of Chemistry

    Professor Amineni Umamaheswari, Mr Sudheer Kumar Katari

  12. Novel and potent inhibitors for dihydropteroate synthase ofHelicobacter pylori

    Article • Journal of Receptors and Signal Transduction, February 2020, Taylor & Francis

    Professor Amineni Umamaheswari, Mr Sudheer Kumar Katari

  13. Synthesis, Molecular Docking Studies and Biological Evaluation of N-Acylarylhydrazones as Anti-Inflammatory Agents

    Article • January 2020, Springer Science + Business Media

    Professor Amineni Umamaheswari, Mr Sudheer Kumar Katari

  14. Integration of core hopping, quantum-mechanics, molecular mechanics coupled binding-energy estimations and dynamic simulations for fragment-based novel therapeutic scaffolds against Helicobacter pylori strains

    Article • Computational Biology and Chemistry, December 2019, Elsevier

    Professor Amineni Umamaheswari, Mr Sudheer Kumar Katari

  15. In silico probing exercises, bioactive-conformational and dynamic simulations strategies for designing and promoting selective therapeutics against Helicobacter pylori strains

    Article • Journal of Molecular Graphics and Modelling, November 2019, Elsevier

    Mr Sudheer Kumar Katari, Professor Amineni Umamaheswari

  16. Hierarchical-Clustering, Scaffold-Mining Exercises and Dynamics Simulations for Effectual Inhibitors Against Lipid-A Biosynthesis of Helicobacter pylori

    Article • Cellular and Molecular Bioengineering, May 2019, Springer Science + Business Media

    Mr Sudheer Kumar Katari, Professor Amineni Umamaheswari

  17. Epitope-driven common subunit vaccine design against H. pylori strains

    Article • Journal of Biomolecular Structure and Dynamics, December 2018, Taylor & Francis

    Mr Sudheer Kumar Katari, Mr Rahul krish rahul, Professor Amineni Umamaheswari

  18. In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato

    Article • Frontiers in Pharmacology, October 2018, Frontiers

    Mr Sudheer Kumar Katari, Dr. Mukesh Meena, Professor Amineni Umamaheswari

  19. An in silico study: Novel targets for potential drug and vaccine design against drug resistant H. pylori

    Article • Microbial Pathogenesis, September 2018, Elsevier

    Mr Sudheer Kumar Katari, Professor Amineni Umamaheswari

  20. Synthesis, Biological Evaluation and Docking Studies of N-(2-benzamido feruloyl) Aryl Hydrazone Analogues

    Article • Letters in Drug Design & Discovery, June 2018, Elsevier

    Mr Sudheer Kumar Katari, GALLA RAJITHA, Professor Amineni Umamaheswari

  21. Analgesic activity of Alpinia galanga extract in mice models and TNF-alpha receptor computational docking analysis on its leads with pharmacokinetics prediction

    Article • International Journal of Basic & Clinical Pharmacology, February 2018, Medip Academy

    Mr Sudheer Kumar Katari

  22. E-Pharmacophore Model Assisted Discovery of Novel Antagonists of nNOS

    Article • Biochemistry & Analytical Biochemistry, January 2017, OMICS Publishing Group

    Mr Sudheer Kumar Katari

  23. Inhibitor design against JNK1 through e-pharmacophore modeling docking and molecular dynamics simulations

    Article • Journal of Receptors and Signal Transduction, February 2016, Taylor & Francis

    Mr Sudheer Kumar Katari, Professor Amineni Umamaheswari

  24. Inhibitor Design for VacA Toxin of Helicobacter pylori

    Article • Journal of Proteomics & Bioinformatics, January 2016, OMICS Publishing Group

    Mr Sudheer Kumar Katari

  25. 197 Combination of e-pharmacophore modeling, multiple docking strategies and molecular dynamic simulations to discover of novel antagonists of BACE1

    Article • Journal of Biomolecular Structure and Dynamics, May 2015, Taylor & Francis

    Mr Sudheer Kumar Katari