448
Views
25
CrossRef citations to date
0
Altmetric
Research Articles

In search of AKT kinase inhibitors as anticancer agents: structure-based design, docking, and molecular dynamics studies of 2,4,6-trisubstituted pyridines

, , ORCID Icon, &
Pages 423-442 | Received 23 Nov 2016, Accepted 11 Jan 2017, Published online: 10 Feb 2017

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

Read on this site (10)

N. Abd Emoniem, R.M. Mukhtar, H. Ghaboosh, E.M. Elshamly, M.A. Mohamed, T. Elsaman & A.A. Alzain. (2023) Turning down PI3K/AKT/mTOR signalling pathway by natural products: an in silico multi-target approach. SAR and QSAR in Environmental Research 34:2, pages 163-182.
Read now
Mahboubeh Zarei, Mohammad Reza Rahbar & Manica Negahdaripour. (2022) Interaction of indole-3-acetic acid with horseradish peroxidase as a potential anticancer agent: from docking to molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 40:9, pages 4188-4196.
Read now
Bhavana Jonnalagadda, Sumathy Arockiasamy, Umashankar Vetrivel & Abhinand P. A.. (2021) In silico docking of phytocompounds to identify potent inhibitors of signaling pathways involved in prostate cancer. Journal of Biomolecular Structure and Dynamics 39:14, pages 5182-5208.
Read now
Adhikesavan Harikrishnan, V. Veena, B. Lakshmi, R. Shanmugavalli, Sonia Theres, C. N. Prashantha, Tanya Shah, K. Oshin, Ringu Togam & Sisir Nandi. (2021) Atranorin, an antimicrobial metabolite from lichen Parmotrema rampoddense exhibited in vitro anti-breast cancer activity through interaction with Akt activity. Journal of Biomolecular Structure and Dynamics 39:4, pages 1248-1258.
Read now
Khalid Mahmood, Zareen Akhter, Muhammad Adeel Asghar, Bushra Mirza, Hammad Ismail, Faroha Liaqat, Saima Kalsoom, Ahmad Raza Ashraf, Muhammad Shabbir, Muhammad Abdul Qayyum & Vickie McKee. (2020) Synthesis, characterization and biological evaluation of novel benzimidazole derivatives. Journal of Biomolecular Structure and Dynamics 38:6, pages 1670-1682.
Read now
Mohd Afzal, Mohammad Usman, Hamad A. Al-Lohedan & Sartaj Tabassum. (2020) Synthesis and characterization of heterobimetallic SnIV–CuII/ZnII complexes: DFT studies, cleavage potential and cytotoxic activity. Journal of Biomolecular Structure and Dynamics 38:4, pages 1130-1142.
Read now
Zhiguo Wang, Zhenming Chen, Jianfeng Li, Jing Huang, Chenni Zheng & Jun-Ping Liu. (2020) Combined 3D-QSAR, molecular docking and molecular dynamics study on the benzimidazole inhibitors targeting HCV NS5B polymerase. Journal of Biomolecular Structure and Dynamics 38:4, pages 1071-1082.
Read now
Tanuj Sharma & Mohammad Imran Siddiqi. (2019) In silico identification and design of potent peptide inhibitors against PDZ-3 domain of Postsynaptic Density Protein (PSD-95). Journal of Biomolecular Structure and Dynamics 37:5, pages 1241-1253.
Read now
Rakesh Kumar, Ranjana Maurya & Shweta Saran. (2019) Introducing a simple model system for binding studies of known and novel inhibitors of AMPK: a therapeutic target for prostate cancer. Journal of Biomolecular Structure and Dynamics 37:3, pages 781-795.
Read now

Articles from other publishers (15)

Asif Alavi & Vikas Sharma. (2023) Role of Docking in Anticancer Drug Discovery. Letters in Drug Design & Discovery 20:10, pages 1490-1511.
Crossref
Z Najminejad & F Sameri. (2023) C–N bond cleavage of benzylamines with singlet molecular oxygen generated from trans-5-hydroperoxy-3,5dimethyl-1,2-dioxolan-3-yl ethaneperoxate: synthesis of 2,4,6-triaryl pyridines. Journal of Chemical Sciences 135:3.
Crossref
Rana Chatterjee, Swadhapriya Bhukta, Kishore Kumar Angajala & Rambabu Dandela. (2023) Copper catalysed oxidative cascade deamination/cyclization of vinyl azide and benzylamine for the synthesis of 2,4,6-triarylpyridines. Organic & Biomolecular Chemistry 21:26, pages 5419-5423.
Crossref
Opeyemi Iwaloye, Paul Olamide Ottu, Femi Olawale, Olorunfemi Oyewole Babalola, Olusola Olalekan Elekofehinti, Babatomiwa Kikiowo, Abayomi Emmanuel Adegboyega, Henry Nnaemeka Ogbonna, Covenant Femi Adeboboye, Ibukun Mary Folorunso, Aderonke Elizabeth Fakayode, Moses Orimoloye Akinjiyan, Sunday Amos Onikanni & Sergey Shityakov. (2023) Computer-aided drug design in anti-cancer drug discovery: What have we learnt and what is the way forward?. Informatics in Medicine Unlocked 41, pages 101332.
Crossref
Kovuru Gopalaiah & Renu Choudhary. (2021) Synthesis of Kröhnke pyridines through iron-catalyzed oxidative condensation/double alkynylation/amination cascade strategy. Tetrahedron 98, pages 132429.
Crossref
Morteza Torabi, Mohammad Ali Zolfigol, Meysam Yarie, Behrouz Notash, Saeid Azizian & Mina Mirzaei Azandaryani. (2021) Synthesis of triarylpyridines with sulfonate and sulfonamide moieties via a cooperative vinylogous anomeric-based oxidation. Scientific Reports 11:1.
Crossref
Dorota Komar & Przemyslaw Juszczynski. (2020) Rebelled epigenome: histone H3S10 phosphorylation and H3S10 kinases in cancer biology and therapy. Clinical Epigenetics 12:1.
Crossref
Łukasz Tomorowicz, Jarosław Sławiński, Beata Żołnowska, Krzysztof Szafrański & Anna Kawiak. (2020) Synthesis, Antitumor Evaluation, Molecular Modeling and Quantitative Structure–Activity Relationship (QSAR) of Novel 2-[(4-Amino-6-N-substituted-1,3,5-triazin-2-yl)methylthio]-4-chloro-5-methyl-N-(1H-benzo[d]imidazol-2(3H)-ylidene)Benzenesulfonamides. International Journal of Molecular Sciences 21:8, pages 2924.
Crossref
Chao Wu, Xirennayi Muhataer, Wenyi Wang, Mingqin Deng, Rong Jin, Zhichuang Lian, Dan Luo, Yafang Li & Xiaohong Yang. (2020) Abnormal DNA methylation patterns in patients with infection‑caused leukocytopenia based on methylation microarrays. Molecular Medicine Reports.
Crossref
D. Thirumal Kumar, Nikita Jain, Judith Evangeline, Balu Kamaraj, R. Siva, Hatem Zayed & C. George Priya Doss. (2019) A computational approach for investigating the mutational landscape of RAC-alpha serine/threonine-protein kinase (AKT1) and screening inhibitors against the oncogenic E17K mutation causing breast cancer. Computers in Biology and Medicine 115, pages 103513.
Crossref
Rabia Hameed, Afsar Khan, Sehroon Khan & Shagufta Perveen. (2019) Computational Approaches Towards Kinases as Attractive Targets for Anticancer Drug Discovery and Development. Anti-Cancer Agents in Medicinal Chemistry 19:5, pages 592-598.
Crossref
Sinthiya J. Gawandi, Vidya G. Desai & Sunil G. Shingade. (2019) Design, synthesis, and biological evaluation of 1,3,5-trisubstituted pyrazoles as tyrosine kinase inhibitors. Medicinal Chemistry Research 28:3, pages 267-278.
Crossref
Lanxuan Liu, Shuobing Fan, Wenjuan Li, Wentao Tao, Ting Shi & Yi-Lei Zhao. (2018) Theoretical Investigation of the Structural Characteristics in the Active State of Akt1 Kinase. Journal of Chemical Information and Modeling 59:1, pages 316-325.
Crossref
Kovuru Gopalaiah, Devarapalli Chenna Rao, Kuldeep Mahiya & Ankit Tiwari. (2018) Iron-Catalyzed Aerobic Oxidative Cleavage and Construction of C−N Bonds: A Facile Method for Synthesis of 2,4,6-Trisubstituted Pyridines. Asian Journal of Organic Chemistry 7:9, pages 1872-1881.
Crossref
Katalin Zboray, Julian Mohrherr, Patricia Stiedl, Klemens Pranz, Laura Wandruszka, Beatrice Grabner, Robert Eferl, Richard Moriggl, Dagmar Stoiber, Kazuhito Sakamoto, Kay-Uwe Wagner, Helmut Popper, Emilio Casanova & Herwig P. Moll. (2018) AKT3 drives adenoid cystic carcinoma development in salivary glands. Cancer Medicine 7:2, pages 445-453.
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.