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30 results · showing 1–20

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  1. IJPI · Original Article

    In vitro and in silico Approach to Determine the Molecular Mechanism of Action of Yashtimadhu Moola Churna (Root Powder of Glycyrrhiza glabra L.)

    Kadambari Solankure, Suhas Kumar Shetty, Arunkumar Biradar, Sandeep Sagare, V Sri Venkata Krishnan

    Volume 17, Issue 1 · pp. 489–497

  2. IJPI · Original Article

    Elucidating the Medhya Role of Lashuna (Allium sativum L) Through in Silico Method with Special Reference to Alzheimer’s Disease

    Jigneshkumar Varu, Pradeep Shahajirao Shindhe, Ramesh Shivappa Killedar, Aniket Ughade

    Volume 17, Issue 1 · pp. 269–275

  3. IJPI · Original Article

    In silico Study toward Electronic Structures of Bioactive Compounds Benzoquinone and its Derivatives: Toxicity and Molecular Docking against Cyclin-Dependent Kinase

    Israa Jameel Hakeem

    Volume 16, Issue 4 · pp. 1479–1488

  4. IJPI · Original Article

    Structure-based Screening of Bacopa monnieri Compounds as Potential Anti-Breast Cancer Agents

    Maryam Musleh Althobiti

    Volume 16, Issue 4 · pp. 1535–1540

  5. IJPI · Original Article

    Maslinic Acid as a Candidate Small-Molecule CDK4 Inhibitor for Lung Cancer

    Rashed Mohammed Alghamdi

    Volume 16, Issue 4 · pp. 1557–1566

  6. IJPI · Original Article

    Multi-Target Inhibition of Breast Cancer Receptors by Pomegranate Peel Phytochemicals: An Integrated Docking, MD Simulation, and DFT Study

    Magesh Mohan, Renukadevi Jeyavelkumaran, Sanjay Valliappan, Shakthi Harikrishnan, Kadir Aravindan, Balaji Ravikuma

    Volume 16, Issue 4 · pp. 1601–1621

  7. IJPI · Original Article

    Mechanistic Investigation of Hidden Flavonoids Isoorientin and Hyperin as Pancreatic Lipase Inhibitors Using Molecular Simulations and Machine Learning Correlation

    Sruthi Sai Kaveripakam, Sreedevi Adikay, Sowmya Venkata Donthamsetty, Surekha Lakshmi Khandavilli

    Volume 16, Issue 4 · pp. 1635–1641

  8. IJPI · Original Article

    Computational Simulation of Monoamine Oxidase (PDB ID: 2BXR) “Molecular Docking, Molecular Dynamics, and 3D-QSAR Analysis of 10H-Phenothiazin-1-yl Derivatives Targeting Enzymes”

    Sanket Keshav Tambe, Rohit Jaysing Bhor, Sagar Dattatray Magar, Mayur Shivaji Bhosale, Shubham Popatrao Mankar, Datta Macchindra Abhale, Sachin Tukaram chavan, Gaurav Subhash Damre

    Volume 16, Issue 4 · pp. 1696–1718

  9. IJPI · Original Article

    Design, Synthesis, Molecular Docking, and in vitro Anti-Inflammatory Evaluation of Novel Benzimidazole Derivatives as Potential COX-2 Inhibitors

    Neha Shyam Bora, Mayur Shivaji Bhosale, Amol Sambhaji Balsane, Vikrant Murlidhar Dhamak, Rohit Jaysing Bhor, Sagar Magar Dattatraya, Sanket KeshavTambe

    Volume 16, Issue 3 · pp. 1056–1063

  10. IJPI · Original Article

    Computational Tool and Molecular Properties to Identify the Molecular Targets of Novel Benzimidazole Derivatives as Potential COX Inhibitors via in silico Approaches

    Vinod Rajendra Tawate, Sanket Keshav Tambe, Shubham Popatrao Mankar, Nilima Mahesh Wani, Sneha Abhishek Vikhe, Manisha Dhondiram Sonawane, Rohit Jaysing Bhor

    Volume 16, Issue 2 · pp. 654–666

  11. IJPI · Review Article

    Integrating Molecular Modeling, Cheminformatics, and High-Throughput Screening: Paving the Way for the Future of Drug Discovery

    Vaishnavi N. Thute, Sukeshini Lote

    Volume 16, Issue 2 · pp. 384–397

  12. IJPI · Original Article

    A Correlation of Molecular Docking and ADME Studies on 5,5-diphenylimidazolidine-2,4-dione: Inhibitors of Human Voltage-Gated Sodium Channel (Nav1.2)-2KAV

    Pooja Anil Nikam, Shabnam Babu Shaikh, Girish Ravindra Kokate, Vanita Baban Katore, Saiprasad Vasant Wani, Sabafarin Hasin Shaikh, Rohit Jaysing Bhor

    Volume 16, Issue 1 · pp. 232–240

  13. IJPI · Original Article

    3D-QSAR and Molecular Docking Studies on Benzimidazole Derivatives: Validation of Experimental Inhibitory Potencies Towards COX-1 (PDB: 2OYE) and COX-2 (PDB: 4COX)

    Pruthviraj Vijay Kute, Rohit Jaysing Bhor, Mahesh Hari Kolhe, Harshada Shubhash Bhosale, Pornima Ramdas Tambe, Mayuri Rajesh Bhoknal, Pratibha Shankar Jadhav, Swapnali Baban Avhad, Mayuri Girish Dharam, Ajay Sanjay Mule

    Volume 16, Issue 1 · pp. 174–183

  14. IJPI · Original Article

    Evaluating the Therapeutic Potential of Duartin against Aurora A Protein Kinase in Breast Cancer Cells

    Akram Ahmed Aloqbi

    Volume 15, Issue 3 · pp. 864–872

  15. IJPI · Original Article

    Anti-Inflammatory and Antimicrobial Activities of Essential Oil of Urochloa distachya (L.)

    Smrutiranjan Dash, Rajasekaran Sidhan

    Volume 15, Issue 3 · pp. 1017–1038

  16. IJPI · Original Article

    Studies on in silico and in vitro Anticancer Activity of Selected Plant Extract Phytocompounds against HeLa and HCT116 Cell Lines

    Essakki Subbulakshmi, Sudalaiyanminudi Kumaresan, Pandaram Palanisamy

    Volume 15, Issue 3 · pp. 942–952

  17. IJPI · Original Article

    Design, Synthesis, in silico Molecular Docking, ADMET Analysis and in vitro Antibacterial Activity of Pyranopyrazole Derivatives as Potent Glucosamine-6-Phosphate Synthase Inhibitor

    Prerana Badrinath Jadhav, Shital Vilas Wagh, Manjushri Pratap Dabhade

    Volume 15, Issue 3 · pp. 873–887

  18. IJPI · Original Article

    In silico Identification of Ascidian-Based Lead Compound with Antibacterial Activity for Staphylococcus aureus Toxin Proteins α-Hemolysin, TSST-1 and PVL

    Naveen Kumar Mohan, Muneeswari Kumar, Amudhanila Padmanaban, Farhanaaz, Zakirullah Samad, Abdul Jaffar Ali Hajamohideen

    Volume 15, Issue 3 · pp. 888–894

  19. IJPI · Original Article

    Neuroprotective and Anti-Apoptotic Activity of Anthranilamide Pyrazolo[1,5-a] Pyrimidine Derivative against Parkinson’s Disease Model in Rotenone-Induced SH-SY5Y Cells

    Suresh Yerramsetty, Lavanya Ayyagari, Venkata Krishna Kanth Makani, Jolly Janette Mendonza, Suchitra Maheswari Ajjarapu, Ahmed Kamal, Smita C. Pawar, Manika Pal Bhadra

    Volume 15, Issue 2 · pp. 471–481

  20. IJPI · Original Article

    Computational Docking Study of Oxazepine Based Compounds as Inhibitors of Acetylcholinesterase Enzyme in Alzheimer’s Disease

    Aneesha Addanki, Rama Rao Nadendla, Vijaya Kishore Kanakaraju

    Volume 15, Issue 2 · pp. 454–461