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Drug Design, Development and Therapy Volume 10, 2016 - Issue
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Original Research

Development of novel HER2 inhibitors against gastric cancer derived from flavonoid source of Syzygium alternifolium through molecular dynamics and pharmacophore-based screening

Tirumalasetty Muni Chandra Babu1 Bioinformatics Center, Division of Molecular Biology, Department of Zoology
,
Aluru Rammohan2 Natural Products Division, Department of Chemistry, Sri Venkateswara University, Tirupati, Andhra Pradesh
,
Vijaya Bhaskar Baki1 Bioinformatics Center, Division of Molecular Biology, Department of Zoology
,
Savita Devi3 Pathogen Biology Laboratory, Department of Biotechnology and Bioinformatics, School of Life Sciences, University of Hyderabad, Hyderabad, India
,
Duvvuru Gunasekar2 Natural Products Division, Department of Chemistry, Sri Venkateswara University, Tirupati, Andhra Pradesh
&
Wudayagiri Rajendra1 Bioinformatics Center, Division of Molecular Biology, Department of ZoologyCorrespondence[email protected]
Pages 3611-3632 | Published online: 04 Nov 2016

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Golnoush Sadat Asadi, Rahman Abdizadeh & Tooba Abdizadeh. Investigation of a set of flavonoid compounds as Helicobacter pylori urease inhibitors: insights from in silico studies. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-23.
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Articles from other publishers (11)

S. Sugunakala & S. Selvaraj. 2023. Marvels of Artificial and Computational Intelligence in Life Sciences. Marvels of Artificial and Computational Intelligence in Life Sciences 150 178 .
Shamima Akter, Sa’dia Tasnim, Rashu Barua, Mayank Choubey, Shahida Arbee, Mohammad Mohabbulla Mohib, Naofel Minhaz, Ajanta Choudhury, Pallab Sarker & Mohammad Sarif Mohiuddin. (2023) The Effect of COVID-19 on Gut Microbiota: Exploring the Complex Interplay and Implications for Human Health. Gastrointestinal Disorders 5:3, pages 340-355.
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Agneesh Pratim Das & Subhash Mohan Agarwal. (2023) Recent advances in the area of plant-based anti-cancer drug discovery using computational approaches. Molecular Diversity.
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Gattu Sampath, Douglas J.H. Shyu, Neelamegam Rameshkumar, Muthukalingan Krishnan & Nagarajan Kayalvizhi. (2022) In vitro anti-Helicobacter pylori and anti-gastric cancer activities of Acacia nilotica aqueous leaf extract and its validation using in silico molecular docking approach. Materials Today: Proceedings 51, pages 1675-1684.
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Kanchana Usuwanthim, Prapakorn Wisitpongpun & Thitiya Luetragoon. (2020) Molecular Identification of Phytochemical for Anticancer Treatment. Anti-Cancer Agents in Medicinal Chemistry 20:6, pages 651-666.
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Baki Vijaya Bhaskar, Tirumalasetty Muni Chandra Babu, Aluru Rammohan, Gui Yu Zheng, Grigory V. Zyryanov & Wei Gu. (2020) Structure-Based Virtual Screening of Pseudomonas aeruginosa LpxA Inhibitors using Pharmacophore-Based Approach. Biomolecules 10:2, pages 266.
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Aluru Rammohan, Baki Vijaya Bhaskar, Alexandre CamiloJr.Jr., Duvvuru Gunasekar, Wei Gu & Grigory V. Zyryanov. (2020) In silico, in vitro antioxidant and density functional theory based structure activity relationship studies of plant polyphenolics as prominent natural antioxidants. Arabian Journal of Chemistry 13:2, pages 3690-3701.
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Aluru Rammohan, Baki Vijaya Bhaskar, Nagam Venkateswarlu, Veeramallu Lakshmana Rao, Duvvuru Gunasekar & Grigory V. Zyryanov. (2019) Isolation of flavonoids from the flowers of Rhynchosia beddomei Baker as prominent antimicrobial agents and molecular docking. Microbial Pathogenesis 136, pages 103667.
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Bo Yin, Dong-Mei Fang, Xian-Li Zhou & Feng Gao. (2019) Natural products as important tyrosine kinase inhibitors. European Journal of Medicinal Chemistry 182, pages 111664.
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Xiao-Li Zhou, Zhi-Dong Chen, Yi-Ming Zhou, Rong-Hua Shi & Zong-Jie Li. (2019) The Effect of Tartary Buckwheat Flavonoids in Inhibiting the Proliferation of MGC80-3 Cells during Seed Germination. Molecules 24:17, pages 3092.
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Tirumalasetty Muni Chandra Babu, Sivarathri Siva Rajesh, Baki Vijaya Bhaskar, Savita Devi, Aluru Rammohan, Thirunavakkarasu Sivaraman & Wudayagiri Rajendra. (2017) Molecular docking, molecular dynamics simulation, biological evaluation and 2D QSAR analysis of flavonoids from Syzygium alternifolium as potent anti-Helicobacter pylori agents. RSC Advances 7:30, pages 18277-18292.
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