Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop

Autor: Fidele Ntie-Kang, Kiran K. Telukunta, Serge A. T. Fobofou, Victor Chukwudi Osamor, Samuel A. Egieyeh, Marilia Valli, Yannick Djoumbou-Feunang, Maria Sorokina, Conrad Stork, Neann Mathai, Paul Zierep, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Smith B. Babiaka, Romuald Tematio Fouedjou, Donatus B. Eni, Simeon Akame, Augustine B. Arreyetta-Bawak, Oyere T. Ebob, Jonathan A. Metuge, Boris D. Bekono, Mustafa A. Isa, Raphael Onuku, Daniel M. Shadrack, Thommas M. Musyoka, Vaishali M. Patil, Justin J. J. van der Hooft, Vanderlan da Silva Bolzani, José L. Medina-Franco, Johannes Kirchmair, Tilmann Weber, Özlem Tastan Bishop, Marnix H. Medema, Ludger A. Wessjohann, Jutta Ludwig-Müller

Publikováno v: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-11 (2021)

Abstract We report the major conclusions of the online open-access workshop “Computational Applications in Secondary Metabolite Discovery (CAiSMD)” that took place from 08 to 10 March 2021. Invited speakers from academia and industry and about 20

Externí odkaz: https://doaj.org/article/dc580d833d694863bc03b9de2b1575e5

The International Natural Product Sciences Taskforce (INPST) and the power of Twitter networking exemplified through #INPST hashtag analysis

Autor: Rajeev K. Singla, Ronita De, Thomas Efferth, Bruno Mezzetti, Md. Sahab Uddin, null Sanusi, Fidele Ntie-Kang, Dongdong Wang, Fabien Schultz, Kiran R. Kharat, Hari Prasad Devkota, Maurizio Battino, Daniel Sur, Ronan Lordan, Sourav S Patnaik, Christos Tsagkaris, Chandragiri Siva Sai, Surya Kant Tripathi, Mihnea-Alexandru Găman, Mosa E.O. Ahmed, Elena González-Burgos, Smith B. Babiaka, Shravan Kumar Paswan, Joy Ifunanya Odimegwu, Faizan Akram, Jesus Simal-Gandara, Mágali S. Urquiza, Aleksei Tikhonov, Himel Mondal, Shailja Singla, Sara Di Lonardo, Eoghan J Mulholland, Merisa Cenanovic, Abdulkadir Yusif Maigoro, Francesca Giampieri, Soojin Lee, Nikolay T. Tzvetkov, Anna Maria Louka, Pritt Verma, Hitesh Chopra, Scarlett Perez Olea, Johra Khan, José M. Alvarez Suarez, Xiaonan Zheng, Michał Tomczyk, Manoj Kumar Sabnani, Christhian Delfino Villanueva Medina, Garba M. Khalid, Hemanth Kumar Boyina, Milen I. Georgiev, Claudiu T. Supuran, Eduardo Sobarzo-Sánchez, Tai-Ping Fan, Valeria Pittala, Antoni Sureda, Nady Braidy, Gian Luigi Russo, Rosa Anna Vacca, Maciej Banach, Gérard Lizard, Amira Zarrouk, Sonia Hammami, Ilkay Erdogan Orhan, Bharat B. Aggarwal, George Perry, Mark JS Miller, Michael Heinrich, Anupam Bishayee, Anake Kijjoa, Nicolas Arkells, David Bredt, Michael Wink, Bernd l. Fiebich, Gangarapu Kiran, Andy Wai Kan Yeung, Girish Kumar Gupta, Antonello Santini, Massimo Lucarini, Alessandra Durazzo, Amr El-Demerdash, Albena T. Dinkova-Kostova, Alejandro Cifuentes, Eliana B. Souto, Muhammad Asim Masoom Zubair, Pravin Badhe, Javier Echeverría, Jarosław Olav Horbańczuk, Olaf K. Horbanczuk, Helen Sheridan, Sadeeq Muhammad Sheshe, Anna Maria Witkowska, Ibrahim M. Abu-Reidah, Muhammad Riaz, Hammad Ullah, Akolade R. Oladipupo, Víctor Lopez, Neeraj Kumar Sethiya, Bhupal Govinda Shrestha, Palaniyandi Ravanan, Subash Chandra Gupta, Qushmua E. Alzahrani, Preethidan Dama Sreedhar, Jianbo Xiao, Mohammad Amin Moosavi, Parasuraman Aiya Subramani, Amit Kumar Singh, Ananda Kumar Chettupalli, Jayanta Kumar Patra, Gopal Singh, Tomasz M. Karpiński, Fuad Al-Rimawi, Rambod Abiri, Atallah F. Ahmed, Davide Barreca, Sharad Vats, Said Amrani, Carmela Fimognari, Andrei Mocan, Lucian Hritcu, Prabhakar Semwal, Md. Shiblur Rahaman, Mila Emerald, Akinleye Stephen Akinrinde, Abhilasha Singh, Ashima Joshi, Tanuj Joshi, Shafaat Yar Khan, Gareeballah Osman Adam Balla, Aiping Lu, Sandeep Ramchandra Pai, Imen Ghzaiel, Niyazi Acar, Nour Eddine Es-Safi, Gokhan Zengin, Azazahemad A. Kureshi, Arvind Kumar Sharma, Bikash Baral, Neeraj Rani, Philippe Jeandet, Monica Gulati, Bhupinder Kapoor, Yugal Kishore Mohanta, Zahra Emam-Djomeh, Raphael Onuku, Jennifer R. Depew, Omar M. Atrooz, Bey Hing Goh, Jose Carlos Andrade, Bikramjit Konwar, VJ Shine, João Miguel Lousa Dias Ferreira, Jamil Ahmad, Vivek K. Chaturvedi, Krystyna Skalicka-Woźniak, Rohit Sharma, Rupesh K. Gautam, Sebastian Granica, Salvatore Parisi, Rishabh Kumar, Atanas G. Atanasov, Bairong Shen

Publikováno v: Singla, R K, De, R, Efferth, T, Mezzetti, B, Sahab Uddin, M, Sanusi, Ntie-Kang, F, Wang, D, Schultz, F, Kharat, K R, Devkota, H P, Battino, M, Sur, D, Lordan, R, Patnaik, S S, Tsagkaris, C, Sai, C S, Tripathi, S K, Găman, M-A, Ahmed, M E O, González-Burgos, E, Babiaka, S B, Paswan, S K, Odimegwu, J I, Akram, F, Simal-Gandara, J, Urquiza, M S, Tikhonov, A, Mondal, H, Singla, S, Lonardo, S D, Mulholland, E J, Cenanovic, M, Maigoro, A Y, Giampieri, F, Lee, S, Tzvetkov, N T, Louka, A M, Verma, P, Chopra, H, Olea, S P, Khan, J, Alvarez Suarez, J M, Zheng, X, Tomczyk, M, Sabnani, M K, Medina, C D V, Khalid, G M, Boyina, H K, Georgiev, M I, Supuran, C T, Sobarzo-Sánchez, E, Fan, T-P, Pittala, V, Sureda, A, Braidy, N, Russo, G L, Vacca, R A, Banach, M, Lizard, G, Zarrouk, A, Hammami, S, Orhan, I E, Aggarwal, B B, Perry, G, Miller, M J, Heinrich, M, Bishayee, A, Kijjoa, A, Arkells, N, Bredt, D, Wink, M, Fiebich, B L, Kiran, G, Yeung, A W K, Gupta, G K, Santini, A, Lucarini, M, Durazzo, A, El-Demerdash, A, Dinkova-Kostova, A T, Cifuentes, A, Souto, E B, Zubair, M A M, Badhe, P, Echeverría, J, Horbańczuk, J O, Horbanczuk, O K, Sheridan, H, Sheshe, S M, Witkowska, A M, Abu-Reidah, I M, Riaz, M, Ullah, H, Oladipupo, A R, Lopez, V, Sethiya, N K, Shrestha, B G, Ravanan, P, Gupta, S C, Alzahrani, Q E, Dama Sreedhar, P, Xiao, J, Moosavi, M A, Subramani, P A, Singh, A K, Chettupalli, A K, Patra, J K, Singh, G, Karpiński, T M, Al-Rimawi, F, Abiri, R, Ahmed, A F, Barreca, D, Vats, S, Amrani, S, Fimognari, C, Mocan, A, Hritcu, L, Semwal, P, Shiblur Rahaman, M, Emerald, M, Akinrinde, A S, Singh, A, Joshi, A, Joshi, T, Khan, S Y, Balla, G O A, Lu, A, Pai, S R, Ghzaiel, I, Acar, N, Es-Safi, N E, Zengin, G, Kureshi, A A, Sharma, A K, Baral, B, Rani, N, Jeandet, P, Gulati, M, Kapoor, B, Mohanta, Y K, Emam-Djomeh, Z, Onuku, R, Depew, J R, Atrooz, O M, Goh, B H, Andrade, J C, Konwar, B, Shine, V J, Ferreira, J M L D, Ahmad, J, Chaturvedi, V K, Skalicka-Woźniak, K, Sharma, R, Gautam, R K, Granica, S, Parisi, S, Kumar, R, Atanasov, A G & Shen, B 2023, ' The International Natural Product Sciences Taskforce (INPST) and the power of Twitter networking exemplified through #INPST hashtag analysis ', Phytomedicine : international journal of phytotherapy and phytopharmacology, vol. 108, 154520 . https://doi.org/10.1016/j.phymed.2022.154520

Background: The development of digital technologies and the evolution of open innovation approaches have enabled the creation of diverse virtual organizations and enterprises coordinating their activities primarily online. The open innovation platfor

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::021478af0b1ead3804b2a1f4e86ad29c
https://avesis.gazi.edu.tr/publication/details/e1cf0bb8-5a83-4131-83fb-892c34a23e19/oai

Chemical constituents of Combretum dolichopetalum: Characterization, antitrypanosomal activities and molecular docking studies

Autor: Charles O Nnadi, Raphael Onuku, Thecla O Ayoka, Ndidiamaka H Okorie, Ngozi J Nwodo

Publikováno v: Tropical Journal of Pharmaceutical Research; Vol. 21 No. 4 (2022); 801-808

Purpose: To evaluate the in vitro activities of a gallic acid ester and two apigenin flavone glucoside constituents of Combretum dolichopetalum against Trypanosoma brucei brucei s427 (Tbs427) and Trypanosoma congolense IL3000 (Tc-IL3000), and their i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff2094f18bdff37cb318deb0beff05a3
https://doi.org/10.4314/tjpr.v21i4.17

Repurposing Drugs to Find HIV-1 Protease Inhibitors: A Virtual Study

Autor: Raphael Onuku, Ngozi Nwodo, Akachukwu Ibezim

Publikováno v: Proceedings of MOL2NET'21, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 7th ed..

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::8288de417713ddd2a8e8f29f5b7f28cd
https://doi.org/10.3390/mol2net-07-12067