627
Views
19
CrossRef citations to date
0
Altmetric
Research Articles

Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants

, , , ORCID Icon &
Pages 6524-6538 | Received 08 Apr 2020, Accepted 22 Jul 2020, Published online: 04 Aug 2020

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (7)

Ifeoluwa Temitayo Oyeyemi, Kayode Ezekiel Adewole & Gideon Ampoma Gyebi. (2023) In silico prediction of the possible antidiabetic and anti-inflammatory targets of Nymphaea lotus-derived phytochemicals and mechanistic insights by molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 41:21, pages 12225-12241.
Read now
Arakkaveettil Kabeer Farha, Zijun Li, Yijuan Xu, Matteo Bordiga, Zhongquan Sui & Harold Corke. (2023) Anti-quorum sensing effects of batatasin III: in vitro and in silico studies. Journal of Biomolecular Structure and Dynamics 41:20, pages 11341-11352.
Read now
Elham Sadat Mostafavi, Ahmad Asoodeh & Jamshidkhan Chamani. (2023) New insights on the binding of butyl-paraben to trypsin: experimental and computational approaches. Journal of Biomolecular Structure and Dynamics 41:20, pages 10302-10314.
Read now
Arvind Kumar Yadav, T. P. Krishna Murthy, Gangaraju Divyashri, Durga Prasad N.Sriraksha Prakash, Vijaya Vaishnavi V.Rohit Shukla & Tiratha Raj Singh. (2023) Computational screening of pathogenic missense nsSNPs in heme oxygenase 1 (HMOX1) gene and their structural and functional consequences. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
Read now
Aishwarya Girish, Samruddhi Sutar, T. P. Krishna Murthy, Suheeth Amberi Premanand, Vrinda Garg, Lavan Patil, S. Shreyas, Rohit Shukla, Arvind Kumar Yadav & Tiratha Raj Singh. (2023) Comprehensive bioinformatics analysis of structural and functional consequences of deleterious missense mutations in the human QDPR gene. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-17.
Read now
Priyanka Purohit, Debashis Barik, Sidhartha Agasti, Madhusmita Panda & Biswa Ranjan Meher. (2023) Evaluation of the inhibitory potency of anti-dengue phytocompounds against DENV-2 NS2B-NS3 protease: virtual screening, ADMET profiling and molecular dynamics simulation investigations. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-20.
Read now

Articles from other publishers (12)

Jieting Wu, Tian Gao, Haijuan Guo, Lei Zhao, Sidi Lv, Jin Lv, Ruyi Yao, Yanyi Yu & Fang Ma. (2023) Application of molecular dynamics simulation for exploring the roles of plant biomolecules in promoting environmental health. Science of The Total Environment 869, pages 161871.
Crossref
A. Pandit, A. K. Shukla, Deepika, D. Vaidya, A. Kumari & A. Kumar. (2023) In vitro Assessment of Anti-Microbial Activity of Aloe vera (Barbadensis miller) Supported through Computational Studies. Russian Journal of Bioorganic Chemistry.
Crossref
Muhammad Shahid, Shazrul Fazry, Ahmad Azfaralariff, Ahmed Abdul Kareem Najm, Douglas Law & Mukram M. Mackeen. (2023) Bioactive compound identification and in vitro evaluation of antidiabetic and cytotoxic potential of Garcinia atroviridis fruit extract. Food Bioscience 51, pages 102285.
Crossref
Guowen Zhang, Miao Zhu, Yijing Liao, Deming Gong & Xing Hu. (2022) Action mechanisms of two key xanthine oxidase inhibitors in tea polyphenols and their combined effect with allopurinol. Journal of the Science of Food and Agriculture 102:15, pages 7195-7208.
Crossref
Md. Rashid, Md. Rahman, Md. Islam, Md. Hossen, A. Ahmed, Mirola Afroze, Alaa Habib, Manal Mansoury, Hend Alharbi, Reham Algheshairy, Walla Alelwani, Afnan Alnajeebi, Jitbanjong Tangpong, Srabonti Saha, Alaa Qadhi & Wedad Azhar. (2022) Natural Compounds of Lasia spinosa (L.) Stem Potentiate Antidiabetic Actions by Regulating Diabetes and Diabetes-Related Biochemical and Cellular Indexes. Pharmaceuticals 15:12, pages 1466.
Crossref
Priyanka Purohit, Sthitaprajna Sahoo, Madhusmita Panda, Partha Sarathi Sahoo & Biswa Ranjan Meher. (2022) Targeting the DENV NS2B-NS3 protease with active antiviral phytocompounds: structure-based virtual screening, molecular docking and molecular dynamics simulation studies. Journal of Molecular Modeling 28:11.
Crossref
Prangya Rath, Anuj Ranjan, Abhishek Chauhan, Naval Kumar Verma, Atul Bhargava, Ram Prasad & Tanu Jindal. (2022) A Critical Review on Role of Available Synthetic Drugs and Phytochemicals in Insulin Resistance Treatment by Targeting PTP1B. Applied Biochemistry and Biotechnology 194:10, pages 4683-4701.
Crossref
Tahira Shamim, Hafiz Muhammad Asif, Ghazala Shaheen, Laila Sumreen, Sultan Ayaz, Tasneem Qureshi, Aymen Owais Ghauri, Tanveer Ali, Mukhtiar Ahmad, Farhan Sajid, Ijaz Khadim, Rida Tanveer, Raeesa Noor, Hina Nawaz & Jahanzaib Kaleem. (2022) Anti-diabetic Potential of Indigenous Medicinal Plants of Cholistan Desert, Pakistan: A Review. Review of Diabetic Studies 18:2, pages 93-99.
Crossref
Amer H. Asseri, Md. Jahidul Alam, Faisal Alzahrani, Ahmed Khames, Mohammad Turhan Pathan, Mohammed A. S. Abourehab, Salman Hosawi, Rubaiat Ahmed, Sifat Ara Sultana, Nazia Fairooz Alam, Nafee-Ul Alam, Rahat Alam, Abdus Samad, Sushil Pokhrel, Jin Kyu Kim, Foysal Ahammad, Bonglee Kim & Shing Cheng Tan. (2022) Toward the Identification of Natural Antiviral Drug Candidates against Merkel Cell Polyomavirus: Computational Drug Design Approaches. Pharmaceuticals 15:5, pages 501.
Crossref
Ana Maria Udrea, Gratiela Gradisteanu Pircalabioru, Anca Andreea Boboc, Catalina Mares, Andra Dinache, Maria Mernea & Speranta Avram. (2021) Advanced Bioinformatics Tools in the Pharmacokinetic Profiles of Natural and Synthetic Compounds with Anti-Diabetic Activity. Biomolecules 11:11, pages 1692.
Crossref
Vikas Jha, Darpan Kaur Matharoo, Sankalp Kasbe, Kunal Gharat, Meet Rathod, Neetu Sonawane & Tanvi Kanade. (2021) Computational screening of phytochemicals to discover potent inhibitors against chinkungunya virus. Vegetos 34:3, pages 515-527.
Crossref
Chunsheng Zhu, Hongjuan Niu, Anzheng Nie & Meng Bian. (2021) Bioactivity-guided separation of potential α-glycosidase inhibitor from clerodendranthus spicatus based on HSCCC coupled with molecular docking. Scientific Reports 11:1.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.