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  1. IJPI · Original Article

    In silico SAR-Guided Discovery of Imidazole-Based Anticonvulsants with Optimized ADMET Profiles

    Abhishek Pete Nagaraj, Purushotham Karadigere Nagaraju

    Volume 17, Issue 1 · pp. 283–291

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. IJPI · Original Article

    Identification of a Potential Compound against Drug Resistant Strain of Mycobacterium tuberculosis Using in silico Methods

    Monish Mukul Das, Sayan Chakraborty

    Volume 15, Issue 2 · pp. 604–613

  8. IJPI · Original Article

    Exploring the Anti-bacterial Potential of Novel 2-Aminophenyl-2-(2,4,5-Triphenylimidazole) Acetate Derivatives: A Comprehensive Design and Synthesis Approach

    Piyusha Kolhe, Rahul Godge, Hrishikesh Ghorpade, Gaurav Dhanvate, Anurag Nalawade

    Volume 14, Issue 1 · pp. 89–100

  9. IJPI · Original Article

    Docking Sites of Indole Derivative on Mitogen-Activated Protein Kinase (MAPK) Inhibitor (PDB ID- 1A9U) against Inflammation

    Rohit Jaysing Bhor, Adesh Chandrakant Agale, Gaikwad Mayur Sitaram, More Dhanraj Navnath, Wayse Siddheshwar Sunil

    Volume 14, Issue 1 · pp. 172–179

  10. IJPI · Original Article

    Computational Studies to Identify Potential Inhibitors Targeting the DprE1 Protein in Mycobacterium tuberculosis

    Bashir A Sheikh, Basharat A Bhat, Masood A Rizvi, Zahoor Ahmad, Abdullah Almilaibary, Mustfa Alkhanani, Manzoor A Mir

    Volume 13, Issue 1 · pp. 129–138