All Stories

  1. PhyIndBC: Development of a machine learning tool for screening of potential breast cancer inhibitors from phytochemicals

    Article • Current Plant Biology, June 2025, Elsevier

    Dr Subhash Mohan Agarwal

  2. Identification of rheochrysin as a potential anti-cancer inhibitor of NAD(P) H quinone oxidoreductase 1 through ensemble virtual screening, molecular dynamics, MM-GBSA and DFT

    Article • International Journal of Biological Macromolecules, May 2025, Elsevier

    Dr Subhash Mohan Agarwal

  3. Unveiling the potential of novel 5α-reductase inhibitors via ligand based drug design, molecular docking and ADME predictions to manage BPH

    Article • Journal of Molecular Structure, January 2025, Elsevier

    Dr Subhash Mohan Agarwal

  4. Systematic Review and Meta-analysis Indicating Curcumin to Enhance the Synergistic Potential of Paclitaxel and Reduce Cell Viability, Tumor Volume, and Drug Resistance in Different Cancers

    Article • Current Medicinal Chemistry, September 2024, Bentham Science Publishers

    Dr Subhash Mohan Agarwal

  5. Identification and characterization of the in-vivo metabolites of the novel soluble epoxide hydrolase inhibitor EC5026 using liquid chromatography quadrupole time of flight mass spectrometry

    Article • Journal of Pharmaceutical and Biomedical Analysis, July 2024, Elsevier

    Dr Subhash Mohan Agarwal

  6. Machine Learning, Molecular Docking, and Dynamics-Based Computational Identification of Potential Inhibitors against Lung Cancer

    Article • ACS Omega, January 2024, American Chemical Society (ACS)

    Dr Subhash Mohan Agarwal

  7. Genome sequencing of SARS-CoV-2 omicron variants in Delhi reveals alterations in immunogenic regions in spike glycoprotein

    Article • Frontiers in Immunology, October 2023, Frontiers

    Dr Subhash Mohan Agarwal

  8. Protein structure selection for computer‐aided drug discovery using Cross‐docking, Ligand and Binding site similarity, Binding pose meta‐dynamics and enrichment calculations: A case study on T790M/L858R mutant EGFR structures

    Article • Protein Science, July 2023, Wiley

    Dr Subhash Mohan Agarwal

  9. Identification of Bile Acid-Derived Chemical Chaperone(s) Targeting E46K-Mutated Alpha-Synuclein Protein to Treat Parkinson’s Disease: Molecular Modelling, Docking, ADME, and Simulation Studies

    Article • Applied Biochemistry and Biotechnology, July 2023, Springer Science + Business Media

    Dr Subhash Mohan Agarwal

  10. A pharmacokinetic study to correlate the hypoglycemic effect of phlorizin in rats: Identification of metabolites as inhibitors of sodium/glucose cotransporters

    Article • Journal of Mass Spectrometry, July 2023, Wiley

    Dr Subhash Mohan Agarwal

  11. In-Silico molecular screening of natural compounds as a potential therapeutic inhibitor for Methicillin-resistant Staphylococcus aureus inhibition

    Article • Chemico-Biological Interactions, April 2023, Elsevier

    Dr Subhash Mohan Agarwal

  12. Meta-Analysis of 49 SNPs Covering 25,446 Cases and 41,106 Controls Identifies Polymorphisms in Hormone Regulation and DNA Repair Genes Associated with Increased Endometrial Cancer Risk

    Article • Genes, March 2023, MDPI AG

    Dr Subhash Mohan Agarwal

  13. Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches

    Article • Molecular Diversity, January 2023, Springer Science + Business Media

    Dr Subhash Mohan Agarwal

  14. Elucidation of Increased Cervical Cancer Risk Due to Polymorphisms in XRCC1 (R399Q and R194W), ERCC5 (D1104H), and NQO1 (P187S)

    Article • Reproductive Sciences, October 2022, Springer Science + Business Media

    Dr Subhash Mohan Agarwal

  15. Prioritization and Meta-analysis of regulatory SNPs identified IL6, TGFB1, TLR9 and MMP7 as significantly associated with cervical cancer

    Article • Cytokine, September 2022, Elsevier

    Dr Subhash Mohan Agarwal

  16. A comprehensive meta-analysis of non-coding polymorphisms associated with precancerous lesions and cervical cancer

    Article • Genomics, May 2022, Elsevier

    Dr Subhash Mohan Agarwal

  17. Computational identification of natural product inhibitors against EGFR double mutant (T790M/L858R) by integrating ADMET, machine learning, molecular docking and a dynamics approach

    Article • RSC Advances, January 2022, Royal Society of Chemistry

    Dr Subhash Mohan Agarwal

  18. EGFRisopred: a machine learning-based classification model for identifying isoform-specific inhibitors against EGFR and HER2

    Article • Molecular Diversity, August 2021, Springer Science + Business Media

    Dr Subhash Mohan Agarwal

  19. Synthesis of metronidazole based thiazolidinone analogs as promising antiamoebic agents

    Article • Bioorganic & Medicinal Chemistry Letters, December 2020, Elsevier

    Dr Subhash Mohan Agarwal

  20. TMLRpred: A machine learning classification model to distinguish reversible EGFR double mutant inhibitors

    Article • Chemical Biology & Drug Design, September 2020, Wiley

    Dr Subhash Mohan Agarwal, Shehnaz Fatima

  21. Structure-activity Relationship Study on Therapeutically Relevant EGFR Double Mutant Inhibitors

    Article • Medicinal Chemistry, January 2020, Bentham Science Publishers

    Dr Subhash Mohan Agarwal, Shehnaz Fatima

  22. ADMET profiling of geographically diverse phytochemical using chemoinformatic tools

    Article • Future Medicinal Chemistry, December 2019, Future Science

    Dr Subhash Mohan Agarwal

  23. Exploring structural features of EGFR–HER2 dual inhibitors as anti-cancer agents using G-QSAR approach

    Article • Journal of Receptors and Signal Transduction, May 2019, Taylor & Francis

    Dr Subhash Mohan Agarwal, Shehnaz Fatima

  24. QSAR of clinically important EGFR mutant L858R/T790M pyridinylimidazole inhibitors

    Article • Chemical Biology & Drug Design, April 2019, Wiley

    Dr Subhash Mohan Agarwal

  25. Oral Bioavailability of Naturally Occurring Anticancer Phytomolecules

    Article • Letters in Drug Design & Discovery, September 2018, Bentham Science Publishers

    Dr Subhash Mohan Agarwal, ASHISH SHARMA, shilpa sharma

  26. Unraveling structural requirements of amino-pyrimidine T790M/L858R double mutant EGFR inhibitors: 2D and 3D QSAR study

    Article • Journal of Receptors and Signal Transduction, July 2018, Taylor & Francis

    Dr Subhash Mohan Agarwal, Shehnaz Fatima

  27. Insight into structural requirements of antiamoebic flavonoids: 3D-QSAR and G-QSAR studies

    Article • Chemical Biology & Drug Design, June 2018, Wiley

    Dr Subhash Mohan Agarwal

  28. Pharmacokinetic profiling of anticancer phytocompounds using computational approach

    Article • Phytochemical Analysis, April 2018, Wiley

    Dr Subhash Mohan Agarwal, ASHISH SHARMA, shilpa sharma

  29. Lycopene Prevents Mitochondrial Dysfunction during d-Galactosamine/Lipopolysaccharide-Induced Fulminant Hepatic Failure in Albino Rats

    Article • Journal of Proteome Research, August 2017, American Chemical Society (ACS)

    Dr Subhash Mohan Agarwal

  30. Insight into Discovery of Next Generation Reversible TMLR Inhibitors Targeting EGFR Activating and Drug Resistant T790M Mutants

    Article • Current Cancer Drug Targets, August 2017, Bentham Science Publishers

    Dr Subhash Mohan Agarwal, Miss DIVYANI Pal

  31. Control of apoptosis by SMAR1

    Article • Molecular BioSystems, January 2017, Royal Society of Chemistry

    Dr Subhash Mohan Agarwal

  32. NPred: QSAR classification model for identifying plant based naturally occurring anti-cancerous inhibitors

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Subhash Mohan Agarwal

  33. Structure guided design and binding analysis of EGFR inhibiting analogues of erlotinib and AEE788 using ensemble docking, molecular dynamics and MM-GBSA

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Subhash Mohan Agarwal

  34. Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Subhash Mohan Agarwal

  35. VOCC: a database of volatile organic compounds in cancer

    Article • RSC Advances, January 2016, Royal Society of Chemistry

    Dr Subhash Mohan Agarwal

  36. Acetogenins as Potential Anticancer Agents

    Article • Anti-Cancer Agents in Medicinal Chemistry, November 2015, Bentham Science Publishers

    Dr Subhash Mohan Agarwal

  37. Metronidazole hydrazone conjugates: Design, synthesis, antiamoebic and molecular docking studies

    Article • Bioorganic & Medicinal Chemistry Letters, September 2015, Elsevier

    Dr Subhash Mohan Agarwal

  38. QSAR based model for discriminating EGFR inhibitors and non-inhibitors using Random forest

    Article • Biology Direct, March 2015, Springer Science + Business Media

    Professor Gajendra PS Raghava, Dr Subhash Mohan Agarwal, Prof Gajendra PS Raghava

  39. Chloroquinoline–acetamide hybrids: a promising series of potential antiprotozoal agents

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor amir azam, Dr Subhash Mohan Agarwal

  40. Heterocyclic Lead Compounds Against Amebiasis

    Article • November 2014, Springer Science + Business Media

    Dr Subhash Mohan Agarwal

  41. A Comprehensive Review of Dysregulated miRNAs Involved in Cervical Cancer

    Article • Current Genomics, July 2014, Bentham Science Publishers

    Dr Subhash Mohan Agarwal

  42. Identification of Critical MicroRNA Gene Targets in Cervical Cancer Using Network Properties

    Article • MicroRNA, July 2014, Bentham Science Publishers

    Dr Subhash Mohan Agarwal

  43. QSAR-Based Models for Designing Quinazoline/Imidazothiazoles/Pyrazolopyrimidines Based Inhibitors against Wild and Mutant EGFR

    Article • PLOS One, July 2014, PLOS

    Professor Gajendra PS Raghava, Dr Subhash Mohan Agarwal, Prof Gajendra PS Raghava

  44. Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity

    Article • Gene, April 2014, Elsevier

    Dr Subhash Mohan Agarwal

  45. Corrigendum to “Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity” [Gene 539 (2014) 82–90]

    Article • Gene, April 2014, Elsevier

    Dr Subhash Mohan Agarwal

  46. EGFRIndb: Epidermal Growth Factor Receptor Inhibitor Database

    Article • Anti-Cancer Agents in Medicinal Chemistry, March 2014, Bentham Science Publishers

    Dr Subhash Mohan Agarwal, Prof Gajendra PS Raghava

  47. Understanding the transcriptional regulation of cervix cancer using microarray gene expression data and promoter sequence analysis of a curated gene set

    Article • Gene, February 2014, Elsevier

    Dr Subhash Mohan Agarwal

  48. Synthesis and evaluation of 7-chloro-4-(piperazin-1-yl)quinoline-sulfonamide as hybrid antiprotozoal agents

    Article • Bioorganic & Medicinal Chemistry, June 2013, Elsevier

    Dr Subhash Mohan Agarwal

  49. Structural investigation of deleterious non-synonymous SNPs of EGFR gene

    Article • Interdisciplinary Sciences Computational Life Sciences, March 2013, Springer Science + Business Media

    Dr Subhash Mohan Agarwal

  50. The Dynamics of Stress p53-Mdm2 Network Regulated by p300 and HDAC1

    Article • PLOS One, February 2013, PLOS

    Dr Subhash Mohan Agarwal

  51. Switching p53 states by calcium: dynamics and interaction of stress systems

    Article • Molecular BioSystems, January 2013, Royal Society of Chemistry

    Dr Subhash Mohan Agarwal

  52. NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database

    Article • Nucleic Acids Research, November 2012, Oxford University Press (OUP)

    Dr Subhash Mohan Agarwal, Prof Gajendra PS Raghava

  53. Metronidazole thiosalicylate conjugates: Synthesis, crystal structure, docking studies and antiamoebic activity

    Article • Bioorganic & Medicinal Chemistry Letters, September 2012, Elsevier

    Dr Subhash Mohan Agarwal

  54. ChemInform Abstract: Novel Terpene Based 1,4,2-Dioxazoles: Synthesis, Characterization, Molecular Properties and Screening Against Entamoeba histolytica.

    Article • ChemInform, January 2012, Wiley

    Dr Subhash Mohan Agarwal

  55. Novel terpene based 1,4,2-dioxazoles: Synthesis, characterization, molecular properties and screening against Entamoeba histolytica

    Article • European Journal of Medicinal Chemistry, September 2011, Elsevier

    Dr Subhash Mohan Agarwal

  56. CCDB: a curated database of genes involved in cervix cancer

    Article • Nucleic Acids Research, November 2010, Oxford University Press (OUP)

    Dr Subhash Mohan Agarwal, Prof Gajendra PS Raghava

  57. Phylogeny of structural domains of plant serine β-lactamase family proteins

    Article • Biologija, January 2010, Lithuanian Academy of Sciences

    Dr Subhash Mohan Agarwal

  58. Human intronless disease associated genes are slowly evolving

    Article • BMB Reports, June 2009, Korean Society for Biochemistry and Molecular Biology - BMB Reports

    Dr Subhash Mohan Agarwal

  59. Synthesis and antiamoebic activity of metronidazole thiosemicarbazone analogues

    Article • European Journal of Medicinal Chemistry, September 2008, Elsevier

    Dr. Mohammad Abid, Dr Subhash Mohan Agarwal

  60. Rapidly Evolving Regions of the Human Genome

    Article • July 2008, Wiley

    Dr Subhash Mohan Agarwal

  61. Nucleotide Composition and Amino Acid Usage in AT-Rich Hyperthermophilic Species

    Article • The Open Bioinformatics Journal, April 2008, Bentham Science Publishers

    Dr Subhash Mohan Agarwal

  62. Inhibitors of Escherichia coli serine acetyltransferase block proliferation of Entamoeba histolytica trophozoites

    Article • International Journal for Parasitology, February 2008, Elsevier

    Dr Subhash Mohan Agarwal

  63. Targeting Amoebiasis: Status and Developments

    Article • Current Bioactive Compounds, June 2007, Bentham Science Publishers

    Dr Subhash Mohan Agarwal

  64. Genomic distribution of genes encoding 68 cytoplasmic ribosomal protein families in rice

    Article • Acta Physiologiae Plantarum, December 2005, Springer Science + Business Media

    Dr Subhash Mohan Agarwal

  65. Evolutionary rate variation in eukaryotic lineage specific human intronless proteins

    Article • Biochemical and Biophysical Research Communications, December 2005, Elsevier

    Dr Subhash Mohan Agarwal

  66. Synthesis and Anti-Amoebic Activity of Gold(I), Ruthenium(II), and Copper(II) Complexes of Metronidazole

    Article • Chemistry & Biodiversity, October 2005, Wiley

    Dr Simon J Coles, Dr. Mohammad Abid, Dr Subhash Mohan Agarwal

  67. Corrigendum to “Comparative analysis of human intronless proteins” [Biochem. Biophys. Res. Commun. 331 (2005) 512–519]

    Article • Biochemical and Biophysical Research Communications, July 2005, Elsevier

    Dr Subhash Mohan Agarwal

  68. Comparative analysis of human intronless proteins

    Article • Biochemical and Biophysical Research Communications, June 2005, Elsevier

    Dr Subhash Mohan Agarwal