Ecosyste.ms: Papers
An open API service providing mapping between scientific papers and software projects that are mentioned in them.
All mentions data is based on the CZI Software Mentions dataset.
Projects: pypi: maestro
https://packages.ecosyste.ms/registries/pypi.org/packages/maestro
Deep Learning experiment orchestration tool
5 versions
Latest release: over 12 years ago
98 downloads last month
Papers Mentioning maestro 45
10.1007/s00204-021-03031-1
Functional alterations by a subgroup of neonicotinoid pesticides in human dopaminergic neuronsCited by: 26
Author(s): Dominik Loser, María G. Hinojosa, John D. Blum, Jasmin Schaefer, Markus Brüll, Ylva Johansson, Ilinca Suciu, Karin Grillberger, Timm Danker, Clemens Möller, Iain Gardner, Gerhard Ecker, Susanne Hougaard Bennekou, Anna Forsby, Udo Kraushaar, Marcel Leist
Software Mentions: 15
Published: over 3 years ago
10.3390/molecules26071996
Deciphering the Interactions of Bioactive Compounds in Selected Traditional Medicinal Plants against Alzheimer’s Diseases via Pharmacophore Modeling, Auto-QSAR, and Molecular Docking ApproachesCited by: 25
Author(s): Oluwafemi Adeleke Ojo, Adebola Busola Ojo, Charles E. Okolie, Mary-Ann Chinyere Nwakama, Matthew Iyobhebhe, Ikponmwosa Owen Evbuomwan, Charles Obiora Nwonuma, Rotdelmwa Filibus Maimako, Abayomi Emmanuel Adegboyega, Odunayo Anthonia Taiwo, Khalaf F. Alsharif, Gaber El‐Saber Batiha
Software Mentions: 4
Published: over 3 years ago
10.1155/2013/236850
Exploring Different Virtual Screening Strategies for Acetylcholinesterase InhibitorsCited by: 11
Author(s): Neha Mishra, Arijit Basu
Software Mentions: 3
Published: almost 12 years ago
10.18632/oncotarget.16002
Identifying the structure-activity relationship of leelamine necessary for inhibiting intracellular cholesterol transportCited by: 20
Author(s): Raghavendra Gowda, Gajanan S. Inamdar, Omer F. Kuzu, Saketh S. Dinavahi, Jacek Krzeminski, Madhu Babu Battu, Sreedhara R. Voleti, Shantu Amin, Gavin P. Robertson
Software Mentions: 3
Published: almost 8 years ago
10.1371/journal.pone.0141987
Mixed Inhibition of cPEPCK by Genistein, Using an Extended Binding Site Located Adjacent to Its Catalytic CleftCited by: 6
Author(s): Shashank P. Katiyar, Arpit Jain, Jaspreet Kaur Dhanjal, Durai Sundar
Software Mentions: 3
Published: about 9 years ago
10.1111/tpj.12935
Hetero‐trans‐β‐glucanase, an enzyme unique to <i>Equisetum</i> plants, functionalizes celluloseCited by: 46
Author(s): Thomas J. Simmons, Kyle E. Mohler, Claire Holland, Florence Goubet, Lenka Franková, Douglas R. Houston, Andrew Hudson, Frank Meulewaeter, Stephen C. Fry
Software Mentions: 3
Published: over 9 years ago
10.18632/oncotarget.22622
LINCRNA00273 promotes cancer metastasis and its G-Quadruplex promoter can serve as a novel target to inhibit cancer invasivenessCited by: 12
Author(s): Samarjit Jana, Jagannath Jana, Kartick Patra, Soma Mondal, Jyotsna Bhat, Arnab Sarkar, Pallabi Sengupta, Anindya Biswas, Meghomukta Mukherjee, Satya Prakash Tripathi, Rahul P. Gangwal, Joyita Hazra, Abhay T. Sangamwar, Gopeswar Mukherjee, Shamee Bhattacharjee, Deba Prasad Mandal, Subhrangsu Chatterjee
Software Mentions: 3
Published: about 7 years ago
10.1186/s13065-019-0601-z
Molecular docking, synthesis and biological significance of pyrimidine analogues as prospective antimicrobial and antiproliferative agentsCited by: 9
Author(s): Sanjiv Kumar, Archana Kaushik, Balasubramanian Narasimhan, Syed Adnan Ali Shah, Siong Meng Lim, Kalavathy Ramasamy, Vasudevan Mani
Software Mentions: 2
Published: over 5 years ago
10.1186/s13065-019-0608-5
In-silico molecular design of heterocyclic benzimidazole scaffolds as prospective anticancer agentsCited by: 26
Author(s): Sumit Tahlan, Sanjiv Kumar, Kalavathy Ramasamy, Siong Meng Lim, Syed Adnan Ali Shah, Vasudevan Mani
Software Mentions: 2
Published: over 5 years ago
10.1186/s13065-019-0580-0
Indole hybridized diazenyl derivatives: synthesis, antimicrobial activity, cytotoxicity evaluation and docking studiesCited by: 23
Author(s): Harmeet Kaur, Jasbir Singh, Balasubramanian Narasimhan
Software Mentions: 2
Published: over 5 years ago
10.3762/bjoc.12.267
Computational methods in drug discoveryCited by: 362
Author(s): Sumudu P. Leelananda, Steffen Lindert
Software Mentions: 2
Published: about 8 years ago
10.3390/molecules25051028
Protective Effect of Genistein against Compound 48/80 Induced Anaphylactoid Shock via Inhibiting MAS Related G Protein-Coupled Receptor X2 (MRGPRX2)Cited by: 20
Author(s): Mukesh Kumar, K. N. Singh, Karthi Duraisamy, Ahmed A. Allam, Jamaan S. Ajarem, Billy K. C. Chow
Software Mentions: 2
Published: almost 5 years ago
10.3389/fchem.2020.00250
Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening StudyCited by: 20
Author(s): Dharmendra Kumar Yadav, Surendra Kumar, Eun‐Ha Choi, Sandeep Chaudhary, Mi‐Hyun Kim
Software Mentions: 2
Published: over 4 years ago
10.1186/1742-4690-10-S1-P19
Site directed mutagenesis studies on HIV-1 reverse transcriptase (RT) shed light on the mechanism of action of a new Ribonuclease H/ DNA polymerase RT dual inhibitorCited by: 1
Author(s): Angela Corona, Rita Meleddu, Francesca Esposito, Simona Distinto, Giulia Bianco, Elias Maccioni, Stuart Sf Le Grice, Enzo Tramontano
Software Mentions: 2
Published: over 11 years ago
10.1038/srep09982
Ketorolac salt is a newly discovered DDX3 inhibitor to treat oral cancerCited by: 60
Author(s): Sabindra K. Samal, Samapika Routray, Ganesh Kumar Veeramachaneni, Rupesh Dash, Mahendran Botlagunta
Software Mentions: 2
Published: over 9 years ago
10.1038/srep09705
Structure-based discovery of the first non-covalent inhibitors of Leishmania major tryparedoxin peroxidase by high throughput dockingCited by: 55
Author(s): Margherita Brindisi, Simone Brogi, Nicola Relitti, Alessandra Vallone, Stefania Butini, Sandra Gemma, Ettore Novellino, Gianni Colotti, Gabriella Angiulli, Francesco Di Chiaro, Annarita Fiorillo, Andrea Ilari, Giuseppe Campiani
Software Mentions: 2
Published: over 9 years ago
10.1038/s41598-019-51530-0
Assessment of glucagon receptor occupancy by Positron Emission Tomography in non-human primatesCited by: 10
Author(s): Olof Eriksson, Irina Velikyan, Torsten Haack, Martin Bossart, Andreas Evers, Iina Laitinen, Philip J. Larsen, Oliver Plettenburg, Akihiro Takano, Christer Halldin, Gunnar Antoni, Lars Johansson, Stefan Pierrou, Michael R. Wagner
Software Mentions: 2
Published: about 5 years ago
10.1038/s41598-021-90845-9
Inhibition of MMP2-PEX by a novel ester of dihydroxy cinnamic and linoleic acid from the seagrass Cymodocea serrulataCited by: 1
Author(s): V S Christina, R. Lakshmi Sundaram, V Sivamurugan, Dinesh Kumar, Chinambedu Dhandapani Mohanapriya, V.L. Shailaja, S P Thyagarajan, C. George Priya Doss, K. Mary Elizabeth Gnanambal
Software Mentions: 2
Published: over 3 years ago
10.1038/s41598-021-97031-x
Anthraquinolone and quinolizine derivatives as an alley of future treatment for COVID-19: an in silico machine learning hypothesisCited by: 1
Author(s): Nikhil Samarth, Ritika Kabra, Shailza Singh
Software Mentions: 2
Published: over 3 years ago
10.1186/s13065-018-0515-1
Synthesis, biological evaluation and molecular docking studies of 6-(4-nitrophenoxy)-1H-imidazo[4,5-b]pyridine derivatives as novel antitubercular agents: future DprE1 inhibitorsCited by: 7
Author(s): Jineetkumar Gawad, Chandrakant Bonde
Software Mentions: 1
Published: about 6 years ago
10.1186/s13065-015-0111-6
De-novo design, synthesis and evaluation of novel 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline derivatives as HIV-1 reverse transcriptase inhibitorsCited by: 17
Author(s): Subhash Chander, Penta Ashok, Anupam Singh, Sankaranarayanan Murugesan
Software Mentions: 1
Published: over 9 years ago
10.1155/2012/541594
Implication of Crystal Water Molecules in Inhibitor Binding at ALR2 Active SiteCited by: 4
Author(s): Hymavati, Vivek Kumar, M. Elizabeth Sobhia
Software Mentions: 1
Published: almost 13 years ago
10.1186/s40199-014-0086-1
Synthesis, HIV-1 RT inhibitory, antibacterial, antifungal and binding mode studies of some novel N-substituted 5-benzylidine-2,4-thiazolidinedionesCited by: 33
Author(s): Radhe Shyam Bahare, Swastika Ganguly, Kiattawee Choowongkomon, Supaphorn Seetaha
Software Mentions: 1
Published: almost 10 years ago
10.1002/fsn3.2362
Bioactive metabolites of <i>Blumea lacera</i> attenuate anxiety and depression in rodents and computer‐aided modelCited by: 12
Author(s): Md. Amjad Hossen, A. S. M. Ali Reza, Md. Badrul Amin, Shamima Nasrin, Tawhidul Amin Khan, Md. Habibur Rahman Rajib, Abu Montakim Tareq, Md. Anwarul Haque, Md. Atiar Rahman, Md. Areeful Haque
Software Mentions: 1
Published: over 3 years ago
10.3389/fcimb.2018.00352
CSGID Solves Structures and Identifies Phenotypes for Five Enzymes in Toxoplasma gondiiCited by: 12
Author(s): Joseph Lykins, E.V. Filippova, A.S. Halavaty, G. Minasov, Ying Zhou, I. Dubrovska, K. Flores, L. Shuvalova, Jiapeng Ruan, Kamal El Bissati, Sarah Dovgin, Craig W. Roberts, Stuart Woods, Jon D. Moulton, Hong M. Moulton, Martin J. McPhillie, Stephen P. Muench, Colin W. G. Fishwick, Elisabetta Sabini, Dhanasekaran Shanmugam, David S. Roos, Rima McLeod, W.F. Anderson, Huân M. Ngô
Software Mentions: 1
Published: about 6 years ago
10.1186/s13065-019-0562-2
Molecular docking, synthesis, kinetics study, structure–activity relationship and ADMET analysis of morin analogous as Helicobacter pylori urease inhibitorsCited by: 25
Author(s): Ritu Kataria, Anurag Khatkar
Software Mentions: 1
Published: over 5 years ago
10.3389/fphar.2017.00600
A Multidirectional Perspective for Novel Functional Products: In vitro Pharmacological Activities and In silico Studies on Ononis natrix subsp. hispanicaCited by: 32
Author(s): Şerife Yerlikaya, Gökhan Zengin, Adriano Mollica, Mehmet Cengiz Baloğlu, Yasemin Çelik Altunoğlu
Software Mentions: 1
Published: over 7 years ago
10.1186/s13321-017-0249-4
Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseasesCited by: 12
Author(s): Leen Kalash, Cristina Val, Jhonny Azuaje, Marı́a Isabel Loza, Fredrik Svensson, Azédine Zoufir, Lewis Mervin, Graham Ladds, José Brea, Robert C. Glen, Eddy Sotelo, Andreas Bender
Software Mentions: 1
Published: about 7 years ago
10.1007/s10822-014-9731-5
Structure-guided optimization of small molecule c-Abl activatorsCited by: 4
Author(s): Xuan Hong, Ping Cao, Yoshiaki Washio, Graham L. Simpson, Nino Campobasso, Jing Yang, Alan D. Borthwick, George Burton, Julien Chabanet, Sophie Bertrand, Helen L. Evans, Robert J. Young, Junya Qu, Hu Li, Josh Cottom, Paris Ward, Hong Zhang, Thau Ho, Donghui Qin, Siegfried B. Christensen, Martha S. Head
Software Mentions: 1
Published: almost 11 years ago
10.1080/14756366.2021.1948841
Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepinesCited by: 3
Author(s): Olga Cruz‐López, Matilde Ner, Francho Nerín-Fonz, Yaiza Jiménez-Martínez, David Alencar Araripe, Juan A. Marchal, Houría Boulaiz, Hugo Gutiérrez‐de‐Terán, Joaquı́n M. Campos, Ana Conejo‐García
Software Mentions: 1
Published: almost 4 years ago
10.1186/s13065-019-0613-8
Computational approaches: discovery of GTPase HRas as prospective drug target for 1,3-diazine scaffoldsCited by: 4
Author(s): Sanjiv Kumar, Deepika Sharma, Balasubramanian Narasimhan, Kalavathy Ramasamy, Syed Adnan Ali Shah, Siong Meng Lim, Vasudevan Mani
Software Mentions: 1
Published: over 5 years ago
10.3390/ijms19051427
Amino-Acid Network Clique Analysis of Protein Mutation Non-Additive Effects: A Case Study of LysozmeCited by: 9
Author(s): Dengming Ming, Rui Chen, He Huang
Software Mentions: 1
Published: over 6 years ago
10.3390/ijms22179431
Development of Effective Therapeutic Molecule from Natural Sources against Coronavirus ProteaseCited by: 12
Author(s): Adewale Oluwaseun Fadaka, Nicole Remaliah Samantha Sibuyi, Darius Riziki Martin, Ashwil Klein, Abram Madimabe Madiehe, Mervin Meyer
Software Mentions: 1
Published: over 3 years ago
10.1038/s41598-017-08597-4
Joint inflammation related citrullination of functional arginines in extracellular proteinsCited by: 17
Author(s): Kalle Sipilä, Vipin Ranga, Pekka Rappu, Markku Mali, Laura Pirilä, Ilona Heino, Johanna Jokinen, Jarmo Käpylä, Mark S. Johnson, Jyrki Heino
Software Mentions: 1
Published: over 7 years ago
10.1038/s41598-017-13798-y
A novel library of -arylketones as potential inhibitors of α-glucosidase: Their design, synthesis, in vitro and in vivo studiesCited by: 11
Author(s): Tania Luthra, Rahul Agarwal, Estari Mamidala, Uma Addepally, Subhabrata Sen
Software Mentions: 1
Published: about 7 years ago
10.18632/oncotarget.8112
Role of ADAM17 in invasion and migration of CD133-expressing liver cancer stem cells after irradiationCited by: 28
Author(s): Sung Woo Hong, Wonhee Hur, Jung Eun Choi, Jung-Hee Kim, Daehee Hwang, Seung Kew Yoon
Software Mentions: 1
Published: almost 9 years ago
10.1038/s41598-020-67655-6
Role of water in cyclooxygenase catalysis and design of anti-inflammatory agents targeting two sites of the enzymeCited by: 1
Author(s): Manpreet Kaur, Baljit Kaur, Jasbir Kaur, Anudeep Kaur, Palwinder Singh
Software Mentions: 1
Published: over 4 years ago
10.1155/2020/6512895
Network Analysis of Transcriptome and LC-MS Reveals a Possible Biosynthesis Pathway of Anthocyanins in <i>Dendrobium officinale</i>Cited by: 11
Author(s): Zhiyao Ren, Fangning Qiu, Yinjie Wang, Wenxia Yu, Chenxing Liu, Yangyang Sun, Yawen Wang, Xiaofeng Zhang, Shangping Xing, Shengchang Tao, Yuechun Huang, Guoxiong Liu, Zhaofeng Wei, Baiyin Yu, Shuxiu Du, Zhouxi Lei, Gang Wei
Software Mentions: 1
Published: over 4 years ago
10.3390/md9091554
Synthesis and α-Glucosidase Inhibitory Mechanisms of Bis(2,3-dibromo-4,5-dihydroxybenzyl) Ether, a Potential Marine Bromophenol α-Glucosidase InhibitorCited by: 66
Author(s): Ming Liu, Wei Zhang, Jianteng Wei, Xiukun Lin
Software Mentions: 1
Published: over 13 years ago
10.1155/2014/146781
Hot Melt Extruded Amorphous Solid Dispersion of Posaconazole with Improved Bioavailability: Investigating Drug-Polymer Miscibility with Advanced CharacterisationCited by: 32
Author(s): Ritesh Fule, Purnima D. Amin
Software Mentions: 1
Published: almost 11 years ago
10.3390/molecules23071641
Targeting Dynamical Binding Processes in the Design of Non-Antibiotic Anti-Adhesives by Molecular Simulation—The Example of FimHCited by: 15
Author(s): Eva‐Maria Krammer, Jérôme de Ruyck, Goedele Roos, Julie Bouckaert, Marc F. Lensink
Software Mentions: 1
Published: over 6 years ago
10.1038/s41598-020-77794-5
Conserved interactions required for inhibition of the main protease of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)Cited by: 40
Author(s): Alina Shitrit, Daniel Zaidman, Ori Kalid, Itai Bloch, Dvir Doron, Tali Yarnizky, Idit Buch, Idan Segev, Efrat Ben-Zeev, Elad Segev, Oren Kobiler
Software Mentions: 1
Published: about 4 years ago
10.6026/97320630014574
Molecular docking analysis of phyto-constituents from Cannabis sativa with pfDHFRCited by: 23
Author(s): Temitope Israel David, Niyi Samuel Adelakun, Olaposi Idowu Omotuyi, Damilohun Samuel Metibemu, Oluwafemi Emmanuel Ekun, Gabriel O Eniafe, Olumide K Inyang, Bamidele Adewumi, Ojochenemi A. Enejoh, Raymond.T Owolabi, Eunice Iyanuoluwa Oribamise
Software Mentions: 1
Published: almost 6 years ago
10.1371/journal.pone.0134281
Preclinical Evaluation of a Potential GSH Ester Based PET/SPECT Imaging Probe DT(GSHMe)2 to Detect Gamma Glutamyl Transferase Over Expressing TumorsCited by: 14
Author(s): Harleen Khurana, Virendra Kumar Meena, Surbhi Prakash, Krishna Chuttani, Nidhi Chadha, Ambika P. Jaswal, D. K. Dhawan, Anil K. Mishra, Puja Panwar Hazari
Software Mentions: 1
Published: over 9 years ago
10.1186/s13065-019-0556-0
In-silico design, synthesis, ADMET studies and biological evaluation of novel derivatives of Chlorogenic acid against Urease protein and H. Pylori bacteriumCited by: 13
Author(s): Ritu Kataria, Anurag Khatkar
Software Mentions: 1
Published: over 5 years ago