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Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 6
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Research Articles

Pharmacophore- based virtual screening, 3D- QSAR, molecular docking approach for identification of potential dipeptidyl peptidase IV inhibitors

Bhumi M. Shaha Department of Pharmaceutical Chemistry, K. B. Institute of Pharmaceutical Education and Research, Gandhinagar, Gujarat, India;b Department of Pharmaceutical Chemistry, L. J. Institutes of Pharmacy, Sarkhej, Ahmedabad, Gujarat, India
,
Palmi Modib Department of Pharmaceutical Chemistry, L. J. Institutes of Pharmacy, Sarkhej, Ahmedabad, Gujarat, India
&
Priti Trivedia Department of Pharmaceutical Chemistry, K. B. Institute of Pharmaceutical Education and Research, Gandhinagar, Gujarat, IndiaCorrespondence[email protected]
Pages 2021-2043 | Received 11 Oct 2019, Accepted 06 Mar 2020, Published online: 07 May 2020

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Bhumi M. Shah, Sneha R. Sagar & Priti Trivedi. (2022) Insights into the structural requirements of triazole derivatives as promising DPP IV inhibitors: computational investigations. Journal of Biomolecular Structure and Dynamics 40:24, pages 13778-13798.
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Articles from other publishers (8)

Ajay Aravind Pulikkottil, Amit Kumar, Kailash Jangid, Vinod Kumar & Vikas Jaitak. (2024) Structure-based Virtual Screening and Molecular Dynamic Simulation Approach for the Identification of Terpenoids as Potential DPP-4 Inhibitors. Current Computer-Aided Drug Design 20:4, pages 416-429.
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Sumit Kumar Mandal, MD Muzaffar-Ur Rehman, Ashish Katyal, Kanishk Rajvanshi, Manoj Kannan, Mohit Garg, Sankaranarayanan Murugesan & P.R. Deepa. (2023) In silico anti-viral assessment of phytoconstituents in a traditional (Siddha Medicine) polyherbal formulation – Targeting Mpro and pan-coronavirus post-fusion Spike protein. Journal of Traditional and Complementary Medicine.
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Ossama Daoui, Souad Elkhattabi & Samir Chtita. (2023) Design and Prediction of ADME/Tox Properties of Novel Magnolol Derivatives as Anticancer Agents for NSCLC Using 3D-QSAR, Molecular Docking, MOLCAD and MM-GBSA Studies. Letters in Drug Design & Discovery 20:5, pages 545-569.
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Shuhai Sun, Qilin Zuo, Meijin Du & Yu Li. (2022) Molecular Design and Mechanism Analysis of Phthalic Acid Ester Substitutes: Improved Biodegradability in Processes of Sewage Treatment and Soil Remediation. Toxics 10:12, pages 783.
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Ya Tian, Yujie Li, Xiaojun Zheng, Qing Peng & Shuo Shen. (2022) Pharmacophore-Based Virtual Screening Toward the Discovery of Novel GLUT1 Inhibitors. Journal of Computational Biophysics and Chemistry 21:08, pages 951-966.
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Palmi Modi, Shivani Patel & Mahesh Chhabria. (2022) Discovery of newer pyrazole derivatives with potential anti-tubercular activity via 3D-QSAR based pharmacophore modelling, virtual screening, molecular docking and molecular dynamics simulation studies. Molecular Diversity.
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Yasunari Matsuzaka & Yoshihiro Uesawa. (2022) A Deep Learning-Based Quantitative Structure–Activity Relationship System Construct Prediction Model of Agonist and Antagonist with High Performance. International Journal of Molecular Sciences 23:4, pages 2141.
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Beatriz Suay-García, Jose I. Bueso-Bordils, Antonio Falcó, Gerardo M. Antón-Fos & Pedro A. Alemán-López. (2022) Virtual Combinatorial Chemistry and Pharmacological Screening: A Short Guide to Drug Design. International Journal of Molecular Sciences 23:3, pages 1620.
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