Zobrazeno 1 - 10 of 11 pro vyhledávání: '"Vladimir P. Berishvili"'
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Akademický článek
Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies
Autor: Vladimir P. Berishvili, Alexander N. Kuimov, Andrew E. Voronkov, Eugene V. Radchenko, Pradeep Kumar, Yahya E. Choonara, Viness Pillay, Ahmed Kamal, Vladimir A. Palyulin
Publikováno v: Molecules, Vol 25, Iss 14, p 3171 (2020)
Tankyrase enzymes (TNKS), a core part of the canonical Wnt pathway, are a promising target in the search for potential anti-cancer agents. Although several hundreds of the TNKS inhibitors are currently known, identification of their novel chemotypes
Externí odkaz: https://doaj.org/article/3df233fb40db4ff69c232b023e6323fa
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3
Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies
Autor: A. N. Kuimov, Vladimir P. Berishvili, Eugene V. Radchenko, Ahmed Kamal, Vladimir A. Palyulin, Viness Pillay, Pradeep Kumar, Yahya E. Choonara, Andrew E Voronkov
Publikováno v: Molecules, Vol 25, Iss 3171, p 3171 (2020)
Molecules
Volume 25
Issue 14
Tankyrase enzymes (TNKS), a core part of the canonical Wnt pathway, are a promising target in the search for potential anti-cancer agents. Although several hundreds of the TNKS inhibitors are currently known, identification of their novel chemotypes
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4add1fad9ba49818627958ba4a4cb526
https://www.mdpi.com/1420-3049/25/14/3171
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5
Time-Domain Analysis of Molecular Dynamics Trajectories Using Deep Neural Networks: Application to Activity Ranking of Tankyrase Inhibitors
Autor: Vladimir P. Berishvili, Ahmed Kamal, Riyaz Syed, Chittireddy Venkata Ramana Reddy, Viness Pillay, Vladimir A. Palyulin, Pradeep Kumar, Yahya E. Choonara, Andrew E Voronkov, Eugene V. Radchenko, Valentin O Perkin
Publikováno v: Journal of chemical information and modeling. 59(8)
Molecular dynamics simulations provide valuable insights into the behavior of molecular systems. Extending the recent trend of using machine learning techniques to predict physicochemical properties from molecular dynamics data, we propose to conside
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e73f148ff770ad5515d27338284ef5b
https://pubmed.ncbi.nlm.nih.gov/31276400
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6
Contributors
Autor: Bashir Akhlaq Akhoon, Marta E. Alarcón-Riquelme, Lucas N. Alberca, Juan I. Alice, Nuttapat Anuwongcharoen, Kazim Yalcin Arga, Carolina L. Belllera, Vladimir P. Berishvili, Anshu Bhardwaj, Vijaya Lakshmi Bodiga, Sreedhar Bodiga, Michal Brylinski, Pedro Carmona-Sáez, Sohini Chakraborti, Vaishali Chaudhry, Lixia Chen, Mohane Selvaraj Coumar, Daniel Toro-Domínguez, Nikolas Dietis, Noelie Douanne, Dmitry Druzhilovskiy, K. Eurídice Juárez-Mercado, Christopher Fernández-Prada, Pankaj Gautam, Indira Ghosh, C. Gopi Mohan, Shozeb Haider, Li Hua, Jameel Iqbal, Nivya James, Bani Jolly, Prashant S. Kharkar, Se-Min Kim, Shivani Kumar, Suresh Kumar, Pawan Kumar, Lukasz Kurgan, Yu-Chen Lo, Edgar López-López, Janvhi S. Machhar, K. Manzoor, José L. Medina-Franco, Anu R. Melge, George Minadakis, Aida Minguez-Menendez, Makedonka Mitreva, Rubens L. Monte-Neto, Gurusamy Muneeswaran, Selvaraman Nagamani, Shantikumar V. Nair, Chanin Nantasenamat, G. Narahari Sastry, Amit Nargotra, Anastasia A. Nikitina, Alexey A. Orlov, Dmitry I. Osolodkin, Anastasis Oulas, Manoj Kumar Pal, Vladimir A. Palyulin, Ashma Pandya, Anurag Passi, Joan Pena, Chuleeporn Phanus-umporn, Douglas E.V. Pires, Vladimir Poroikov, Fernando D. Prieto-Martínez, Eugene V. Radchenko, Gayatri Ramakrishnan, K. Ramanathan, Bruce A. Rosa, Rosaleen Sahoo, Niteshkumar U. Sahu, Pemra Ozbek Sarica, Sailu Sarvagalla, Kyriaki Savva, María L. Sbaraglini, Nalini Schaduangrat, Onur Serçinoğlu, Chetan P. Shah, V. Shanthi, Tina Sharma, Kleitos Sokratous, George M. Spyrou, Narayanaswamy Srinivasan, Nagaya Sriwanichpoom, Li Sun, Safiulla Basha Syed, Alan Talevi, Harshita Tiwari, Jorge Z. Torres, Luiza G. Tunes, Beste Turanli, Rahul Tyagi, Chen Wang, Jarl E.S. Wikberg, Xuhua Xia, Tony Yuen, Margarita Zachariou, Neeha Zaidi, Samir Zaidi, Mone Zaidi, Alberta Zallone, Mengzhu Zheng
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f3d63436a8d351c25d0256d3c54b8fd0
https://doi.org/10.1016/b978-0-12-816125-8.09992-2
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7
Analysis of Chemical Spaces: Implications for Drug Repurposing
Autor: Anastasia A. Nikitina, Dmitry I. Osolodkin, Vladimir P. Berishvili, Eugene V. Radchenko, Alexey A. Orlov, Vladimir A. Palyulin
With the slow decrease in the number of approved novel drugs in recent years, drug repurposing has become a viable strategy for drug development. However, many drug repurposing approaches do not fully utilize the rapidly growing volume of relevant dr
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::eeefa1014e967b4e35a05cf77a0db799
https://doi.org/10.1016/b978-0-12-816125-8.00013-4
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8
Design, synthesis, anti-inflammatory activity and molecular docking of potential novel antipyrine and pyrazolone analogs as cyclooxygenase enzyme (COX) inhibitors
Autor: Eman S. Zarie, Vladimir P. Berishvili, Marwa A.M.Sh. El-Sharief, Ghada S. Hassan, Andrey Voronkov, Ahmed R. El-Sheakh, Nesrin M. Morsy, Mardia T. El Sayed
Publikováno v: Bioorganicmedicinal chemistry letters. 28(5)
As a part of a directed program for development of new active agents, novel heterocyclic derivatives with antipyrine and pyrazolone moieties -incorporated in- have been designed and synthesized. Starting with 4-arylidene-3-methyl-1-phenyl-5-pyrazolon
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2feb46c9ff4593e4ba0ee20df978a84a
https://pubmed.ncbi.nlm.nih.gov/35177303
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9
Design and Synthesis of N-Arylphthalimides as Inhibitors of Glucocorticoid-Induced TNF Receptor-Related Protein, Proinflammatory Mediators, and Cytokines in Carrageenan-Induced Lung Inflammation
Autor: Saleh A. Bakheet, Faisal Imam, Andrey Voronkov, Sabry M. Attia, Khairy M.A. Zoheir, Mohamed A. Al-Omar, Vladimir P. Berishvili, Ahmed Nadeem, Mashooq A. Bhat, Mushtaq A. Ansari, Hesham M. Korashy, Sheikh F. Ahmad
Publikováno v: Journal of Medicinal Chemistry. 58:8850-8867
N-Arylphthalimides (1-10P) derived from thalidomide by insertion of hydrophobic groups were evaluated for anti-inflammatory activity, and (4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N'-[(4-ethoxyphenyl)methylidene]benzohydrazide 6P was identified as
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::22ef695cf9996ea78025f571a5052939
https://doi.org/10.1021/acs.jmedchem.5b00934
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10
Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential naprosyn® analogs as COX-1 and/or COX-2 inhibitors
Autor: Vladimir P. Berishvili, Ghada S. Hassan, Eman S. Zarie, Nermien M. Sabry, Hatem A. Abdel-Aziz, Mohammed Nayel, Andrey Voronkov, Mardia T. El Sayed, Marwa A.M.Sh. El-Sharief, Ahmed R. El-Sheakh, Nesrin M. Morsy
Publikováno v: Bioorganic chemistry. 76
Inflammation is a fundamental physiological process that is essential for survival of human being but at the same time is one of the major causes of human morbidity and mortality. In the past decade, numerous advances have taken place in the understa
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f58b77ba3a27728b18ed016071f14a3b
https://pubmed.ncbi.nlm.nih.gov/35334256
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