pypi: maestro | Projects | Ecosyste.ms: Papers

10.1007/s00204-021-03031-1

Functional alterations by a subgroup of neonicotinoid pesticides in human dopaminergic neurons
Cited 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 Approaches
Cited 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 Inhibitors
Cited by: 11
Author(s): Neha Mishra, Arijit Basu
Software Mentions: 3
Published: over 11 years ago

10.18632/oncotarget.16002

Identifying the structure-activity relationship of leelamine necessary for inhibiting intracellular cholesterol transport
Cited 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: over 7 years ago

10.1371/journal.pone.0141987

Mixed Inhibition of cPEPCK by Genistein, Using an Extended Binding Site Located Adjacent to Its Catalytic Cleft
Cited by: 6
Author(s): Shashank P. Katiyar, Arpit Jain, Jaspreet Kaur Dhanjal, Durai Sundar
Software Mentions: 3
Published: almost 9 years ago

10.1111/tpj.12935

Hetero‐trans‐β‐glucanase, an enzyme unique to Equisetum plants, functionalizes cellulose
Cited 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: about 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 invasiveness
Cited 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: almost 7 years ago

10.1186/s13065-019-0601-z

Molecular docking, synthesis and biological significance of pyrimidine analogues as prospective antimicrobial and antiproliferative agents
Cited 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: about 5 years ago

10.1186/s13065-019-0608-5

In-silico molecular design of heterocyclic benzimidazole scaffolds as prospective anticancer agents
Cited by: 26
Author(s): Sumit Tahlan, Sanjiv Kumar, Kalavathy Ramasamy, Siong Meng Lim, Syed Adnan Ali Shah, Vasudevan Mani
Software Mentions: 2
Published: about 5 years ago

10.1186/s13065-019-0580-0

Indole hybridized diazenyl derivatives: synthesis, antimicrobial activity, cytotoxicity evaluation and docking studies
Cited 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 discovery
Cited by: 362
Author(s): Sumudu P. Leelananda, Steffen Lindert
Software Mentions: 2
Published: almost 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: over 4 years ago

10.3389/fchem.2020.00250

Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study
Cited 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 inhibitor
Cited 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: about 11 years ago

10.1038/srep09982

Ketorolac salt is a newly discovered DDX3 inhibitor to treat oral cancer
Cited 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 docking
Cited 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 primates
Cited 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: almost 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 serrulata
Cited 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 hypothesis
Cited by: 1
Author(s): Nikhil Samarth, Ritika Kabra, Shailza Singh
Software Mentions: 2
Published: about 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 inhibitors
Cited by: 7
Author(s): Jineetkumar Gawad, Chandrakant Bonde
Software Mentions: 1
Published: almost 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 inhibitors
Cited 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 Site
Cited by: 4
Author(s): Hymavati, Vivek Kumar, M. Elizabeth Sobhia
Software Mentions: 1
Published: over 12 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-thiazolidinediones
Cited by: 33
Author(s): Radhe Shyam Bahare, Swastika Ganguly, Kiattawee Choowongkomon, Supaphorn Seetaha
Software Mentions: 1
Published: over 9 years ago

10.1002/fsn3.2362

Bioactive metabolites of Blumea lacera attenuate anxiety and depression in rodents and computer‐aided model
Cited 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 gondii
Cited 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: almost 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 inhibitors
Cited 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. hispanica
Cited by: 32
Author(s): Şerife Yerlikaya, Gökhan Zengin, Adriano Mollica, Mehmet Cengiz Baloğlu, Yasemin Çelik Altunoğlu
Software Mentions: 1
Published: about 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 diseases
Cited 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: almost 7 years ago

10.1007/s10822-014-9731-5

Structure-guided optimization of small molecule c-Abl activators
Cited 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: over 10 years ago

10.1080/14756366.2021.1948841

Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines
Cited 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: over 3 years ago

10.1186/s13065-019-0613-8

Computational approaches: discovery of GTPase HRas as prospective drug target for 1,3-diazine scaffolds
Cited 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: about 5 years ago

10.3390/ijms19051427

Amino-Acid Network Clique Analysis of Protein Mutation Non-Additive Effects: A Case Study of Lysozme
Cited 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 Protease
Cited 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: about 3 years ago

10.1038/s41598-017-08597-4

Joint inflammation related citrullination of functional arginines in extracellular proteins
Cited 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: about 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 studies
Cited by: 11
Author(s): Tania Luthra, Rahul Agarwal, Estari Mamidala, Uma Addepally, Subhabrata Sen
Software Mentions: 1
Published: almost 7 years ago

10.18632/oncotarget.8112

Role of ADAM17 in invasion and migration of CD133-expressing liver cancer stem cells after irradiation
Cited by: 28
Author(s): Sung Woo Hong, Wonhee Hur, Jung Eun Choi, Jung-Hee Kim, Daehee Hwang, Seung Kew Yoon
Software Mentions: 1
Published: over 8 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 enzyme
Cited by: 1
Author(s): Manpreet Kaur, Baljit Kaur, Jasbir Kaur, Anudeep Kaur, Palwinder Singh
Software Mentions: 1
Published: about 4 years ago

10.1155/2020/6512895

Network Analysis of Transcriptome and LC-MS Reveals a Possible Biosynthesis Pathway of Anthocyanins in Dendrobium officinale
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 Inhibitor
Cited by: 66
Author(s): Ming Liu, Wei Zhang, Jianteng Wei, Xiukun Lin
Software Mentions: 1
Published: about 13 years ago

10.1155/2014/146781

Hot Melt Extruded Amorphous Solid Dispersion of Posaconazole with Improved Bioavailability: Investigating Drug-Polymer Miscibility with Advanced Characterisation
Cited by: 32
Author(s): Ritesh Fule, Purnima D. Amin
Software Mentions: 1
Published: over 10 years ago

10.3390/molecules23071641

Targeting Dynamical Binding Processes in the Design of Non-Antibiotic Anti-Adhesives by Molecular Simulation—The Example of FimH
Cited by: 15
Author(s): Eva‐Maria Krammer, Jérôme de Ruyck, Goedele Roos, Julie Bouckaert, Marc F. Lensink
Software Mentions: 1
Published: about 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: almost 4 years ago

10.6026/97320630014574

Molecular docking analysis of phyto-constituents from Cannabis sativa with pfDHFR
Cited 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: over 5 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 Tumors
Cited 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: about 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 bacterium
Cited by: 13
Author(s): Ritu Kataria, Anurag Khatkar
Software Mentions: 1
Published: over 5 years ago

Projects: pypi: maestro

Papers Mentioning maestro 45