In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs

Autor: Zarko Gagic, Dusan Ruzic, Nemanja Djokovic, Teodora Djikic, Katarina Nikolic

Publikováno v: Frontiers in Chemistry, Vol 7 (2020)

Rational drug design implies usage of molecular modeling techniques such as pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to explain the activity of biomolecules, define molecular determinants for interaction wi

Externí odkaz: https://doaj.org/article/71c1a4d81a6948189186c90a4bca064c

Synthesis, Molecular Docking and Anticancer Activity of Diflunisal Derivatives as Cyclooxygenase Enzyme Inhibitors

Autor: Göknil Pelin Coşkun, Teodora Djikic, Taha Bartu Hayal, Nezaket Türkel, Kemal Yelekçi, Fikrettin Şahin, Ş. Güniz Küçükgüzel

Publikováno v: Molecules, Vol 23, Iss 8, p 1969 (2018)

Cyclooxygenase enzymes play a vital role in inflammatory pathways in the human body. Apart from their relation with inflammation, the additional involvement of COX-2 enzyme with cancer activity was recently discovered. In some cancer types the level

Externí odkaz: https://doaj.org/article/b1e7e91058294a1dbb0abd7b05742faa

Synthesis and Biological Activity of a Cytostatic Inhibitor of MLLr Leukemia Targeting the DOT1L Protein

Autor: Corinne Jallet, Yang Si, Veronique Cadet Daniel, Eva Levi-Acobas, Nemanja Djokovic, Katarina Nikolic, Paola B. Arimondo, Corentin Bon, Ludovic Halby, Melanie Pernak, Dusan Ruzic, Magdalena Barbachowska, Teodora Djikic

Publikováno v: Molecules
Molecules, 2021, Special Issue The Chemical Biology Research in France, 26 (17), pp.5300. ⟨10.3390/molecules26175300⟩
Molecules, MDPI, 2021, Special Issue The Chemical Biology Research in France, 26 (17), pp.5300. ⟨10.3390/molecules26175300⟩
Molecules, Vol 26, Iss 5300, p 5300 (2021)
Volume 26
Issue 17

International audience; Histone methyltransferase DOT1L catalyzes mono-, di- and trimethylation of histone 3 at lysine residue 79 (H3K79) and hypermethylation of H3K79 has been linked to the development of acute leukemias characterized by the MLL (mi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d0358e54b05e83c739e25802e80e5a20
https://pubmed.ncbi.nlm.nih.gov/34500733

List of Contributors

Autor: Azizeh Abdolmaleki, Imlimaong Aier, Carolina Horta Andrade, Tamanna Anwar, Hemant Arya, Tarun Kumar Bhatt, Andrzej J. Bojarski, Francesca Cavaliere, Sibani Sen Chakraborty, Jeyaraj Pandian Chitra, José Correa-Basurto, Mohane Selvaraj Coumar, Pietro Cozzini, R. Vasundhara Devi, Teodora Djikic, Zarko Gagic, Jahan B. Ghasemi, Divya Gupta, Ravi Guru Raj Rao, Sapna Jain, Jeyaraman Jeyakanthan, Asad U. Khan, Sree Karani Kondapuram, Pawan Kumar, Nathalie Lagarde, Florent Langenfeld, Neeraj Mahindroo, Sabrina Silva Mendonca, Matthieu Montes, José Teofilo Moreira-Filho, Melina Mottin, Ayaluru Murali, Mutharasappan Nachiappan, Bruno Junior Neves, Katarina Nikolic, Sourav Pal, Archana Pan, Jeevan Patra, Sabina Podlewska, Dhamodharan Prabhu, G. Pranavathiyani, Sundarraj Rajamanikandan, Muthukumaran Rajagopalan, Amutha Ramaswamy, Manon Réau, Mariadasse Richard, Patricia Saenz-Méndez, Balasubramanian Sangeetha, Sailu Sarvagalla, Daniela Schuster, Thomas Scior, Asma Sellami, Fereshteh Shiri, Deepanmol Singh, Yudibeth Sixto-López, Bruna Katiele de Paula Sousa, Giulia Spaggiari, Arindam Talukdar, Veronika Temml, Pritish Kumar Varadwaj

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a3dcff99dbd3224495d2d7306fafffc4
https://doi.org/10.1016/b978-0-12-822312-3.01002-x

Design and Discovery of Kinase Inhibitors Using Docking Studies

Autor: Zarko Gagic, Katarina Nikolic, Teodora Djikic

Computer-aided drug design methods such as molecular dynamic simulations, molecular docking, and virtual screening are extensively and successfully used as a first step to identify crucial interactions of ligands with a drug target, explain activity

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::61da4938d788121c0a07fb2756b0a532
https://doi.org/10.1016/b978-0-12-822312-3.00009-6