Advanced search
Publication Cover
Journal of Biomolecular Structure and Dynamics Volume 33, 2015 - Issue 10
Journal homepage
270
Views
11
CrossRef citations to date
0
Altmetric
Articles

Integrating docking and molecular dynamics approaches for a series of proline-based 2,5-diketopiperazines as novel αβ-tubulin inhibitors

Najmeh Fani Department of Chemistry, University of Isfahan , Isfahan, Iran; Department of Chemistry, Isfahan University of Technology , Isfahan, Iran
,
Abdol-Khalegh Bordbar Department of Chemistry, University of Isfahan , Isfahan, IranCorrespondence[email protected]
,
Yousef Ghayeb Department of Chemistry, Isfahan University of Technology , Isfahan, IranCorrespondence[email protected]
&
Saghi Sepehri Department of Medicinal Chemistry, Isfahan University of Medical Sciences , Isfahan, Iran
Pages 2285-2295 | Received 26 May 2014, Accepted 16 Dec 2014, Published online: 23 Jan 2015

Citations (11)

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

Subscribe to citation updates

Read on this site (1)

Brady McMicken, James E. Parker, Robert J. Thomas & Lorenzo Brancaleon. (2016) Resonance Raman and vibrational mode analysis used to predict ligand geometry for docking simulations of a water soluble porphyrin and tubulin. Journal of Biomolecular Structure and Dynamics 34:9, pages 1998-2010.
Read now

Articles from other publishers (10)

Ju‐Song Yang, Fu‐Min Zhang, Ai‐Jun Ma, Jin‐Bao Peng, Kun Zhang, Xiao‐Ming Zhang & Yong‐Qiang Tu. (2023) Catalytic Asymmetric Syntheses of 2,5‐Diketopiperazine (DKP) Frameworks. Asian Journal of Organic Chemistry 12:6.
Crossref
Khadijeh Tavakoli Hafshejani, Nasrin Sohrabi, Mahboube Eslami Moghadam & Mohsen Oftadeh. (2022) Investigation of the physico-chemical interaction of ct-DNA with Anticancer Glycine Derivative of Pt-complex by applying docking and MD simulation methods and multi-spectroscopic techniques. Journal of Molecular Structure 1263, pages 133115.
Crossref
Zohreh Bakherad, Hamid Bakherad, Saghi Sepehri, Mohammad Ali Faramarzi, Karim Mahnam, Somayeh Mojtabavi & Mohammad Mahdavi. (2022) In silico and in vitro studies of thiosemicarbazone-indole hybrid compounds as potent α-glycosidase inhibitors. Computational Biology and Chemistry 97, pages 107642.
Crossref
Ju‐Song Yang, Ka Lu, Chen‐Xiao Li, Zu‐Hang Zhao, Xiao‐Ming Zhang, Fu‐Min Zhang & Yong‐Qiang Tu. (2022) Chiral 1,2,3‐Triazolium Salt Catalyzed Asymmetric Mono‐ and Dialkylation of 2,5‐Diketopiperazines with the Construction of Tetrasubstituted Carbon Centers. Angewandte Chemie International Edition 61:9.
Crossref
Ju‐Song Yang, Ka Lu, Chen‐Xiao Li, Zu‐Hang Zhao, Xiao‐Ming Zhang, Fu‐Min Zhang & Yong‐Qiang Tu. (2022) Chiral 1,2,3‐Triazolium Salt Catalyzed Asymmetric Mono‐ and Dialkylation of 2,5‐Diketopiperazines with the Construction of Tetrasubstituted Carbon Centers. Angewandte Chemie 134:9.
Crossref
Joanna Bojarska, Milan Remko, Martin Breza, Izabela Madura, Andrzej Fruziński & Wojciech M. Wolf. (2020) A Proline-Based Tectons and Supramolecular Synthons for Drug Design 2.0: A Case Study of ACEI. Pharmaceuticals 13:11, pages 338.
Crossref
Zohreh Bakherad, Maliheh Safavi, Saghi Sepehri, Afshin Fassihi, Hojjat Sadeghi-Aliabadi, Mohammad Bakherad, Hossein Rastegar, Bagher Larijani, Lotfollah Saghaie & Mohammad Mahdavi. (2019) Preparation of some novel imidazopyridine derivatives of indole as anticancer agents: one-pot multicomponent synthesis, biological evaluation and docking studies. Research on Chemical Intermediates 45:10, pages 5261-5290.
Crossref
Yue Wu, Qi Guan, Dayong Zheng, Peng Yan, Dongjie Feng, Jianan Du, Jingbo Zhang, Daiying Zuo, Kai Bao & Weige Zhang. (2018) Conformation impacts on the bioactivities of SMART analogues. European Journal of Medicinal Chemistry 158, pages 733-742.
Crossref
Nima Razzaghi-Asl, Sahar Mirzayi, Karim Mahnam & Saghi Sepehri. (2018) Identification of COX-2 inhibitors via structure-based virtual screening and molecular dynamics simulation. Journal of Molecular Graphics and Modelling 83, pages 138-152.
Crossref
Saghi Sepehri, Lotfollah Saghaie & Afshin Fassihi. (2016) Anti‐HIV‐1 Activity Prediction of Novel Gp41 Inhibitors Using Structure‐Based Virtual Screening and Molecular Dynamics Simulation. Molecular Informatics 36:3.
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:

Order Reprints Request Corporate Permissions

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:

Request Academic Permissions

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.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.