Ecosyste.ms: Papers

10.3390/molecules26164894

Effective Use of Empirical Data for Virtual Screening against APJR GPCR Receptor
Cited by: 0
Author(s): Laura C. E. Manoliu, Eliza C. Martin, Adina L. Milac, Laurentiu N. Spiridon
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules23030528

Substrate Binding Switches the Conformation at the Lynchpin Site in the Substrate-Binding Domain of Human Hsp70 to Enable Allosteric Interdomain Communication
Cited by: 11
Author(s): Kohei Umehara, Miho Hoshikawa, N. Tochio, Shin‐ichi Tate
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules22050690

Discovery of Farnesoid X Receptor Antagonists Based on a Library of Oleanolic Acid 3-O-Esters through Diverse Substituent Design and Molecular Docking Methods
Cited by: 4
Author(s): Shao-Rong Wang, Tingting Xu, Kai Deng, Chi‐Wai Wong, Jinsong Liu, Wei‐Shuo Fang
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules24040707

Newly Synthesized Oxygenated Xanthones as Potential P-Glycoprotein Activators: In Vitro, Ex Vivo, and In Silico Studies
Cited by: 19
Author(s): Eva Gil-Martins, Vera Silva, Agostinho Lemos, Andreia Palmeira, Ploenthip Puthongking, Emı́lia Sousa, Carolina Rocha-Pereira, Carolina Inés Ghanem, Helena Carmo, Fernando Remião, Renata Alejandra Silva
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules25235652

Anti-Inflammatory and Tau Phosphorylation–Inhibitory Effects of Eupatin
Cited by: 11
Author(s): Ching Hsuan Chou, Kai Cheng Hsu, Tony Eight Lin, Congrong Yang
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules23071792

Rapid Investigation and Screening of Bioactive Components in Simo Decoction via LC-Q-TOF-MS and UF-HPLC-MD Methods
Cited by: 15
Author(s): Yun He, Pi Cheng, Wei Wang, Sien Yan, Qi Tang, Dongbo Liu, Hongfeng Xie
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules25163659

Characterizing Epitope Binding Regions of Entire Antibody Panels by Combining Experimental and Computational Analysis of Antibody: Antigen Binding Competition
Cited by: 5
Author(s): Benjamin Rix Brooks, Adam Closmore, Jianfeng Yang, Michael A. Holland, Tina M. Cairns, Gary H. Cohen, Chris Bailey‐Kellogg
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules201219836

7-Methoxytacrine-p-Anisidine Hybrids as Novel Dual Binding Site Acetylcholinesterase Inhibitors for Alzheimer’s Disease Treatment
Cited by: 34
Author(s): Jan Korábečný, Martin Andrš, Eugenie Nepovimová, Rafael Doležal, Katerina Babkova, Anna Horova, Dávid Maliňák, Eva Mezeiová, Lukáš Górecki, Vendula Šepsová, Martina Hrabinová, Ondřej Soukup, Daniel Jun, Kamil Kuča
Software Mentions: 1
Published: almost 9 years ago

10.3390/molecules26061690

Risperidone/Randomly Methylated β-Cyclodextrin Inclusion Complex—Compatibility Study with Pharmaceutical Excipients
Cited by: 4
Author(s): Laura Sbârcea, Ionuț Mihai Tănase, Adriana Ledeţi, Denisa Cîrcioban, Gabriela Vlase, Paul Barvinschi, Marinela Miclău, Renata Maria Văruţ, Oana Suciu, Ionuţ Ledeţi
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules24030649

Korean Thistle (Cirsium japonicum var. maackii (Maxim.) Matsum.): A Potential Dietary Supplement against Diabetes and Alzheimer’s Disease
Cited by: 18
Author(s): Aditi Wagle, Su Hui Seong, Srijan Shrestha, Hyun Ah Jung, Jae Sue Choi
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules25215199

Discovery of 12O—A Novel Oral Multi-Kinase Inhibitor for the Treatment of Solid Tumor
Cited by: 3
Author(s): Yan Fan, Zhi Huang, Xiaoshuang Wang, Yakun Ma, Yongtao Li, Shengyong Yang, Yi Shi
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules24101879

The Influence of Dimerization on the Pharmacokinetics and Activity of an Antibacterial Enzyme Lysostaphin
Cited by: 11
Author(s): A. V. Grishin, Н. В. Лаврова, A. M. Lyashchuk, Natalia Strukova, Maria Generalova, Anna V Ryazanova, Nikita V. Shestak, Irina S. Boksha, N. B. Polyakov, З. М. Галушкина, L. A. Soboleva, С. С. Ветчинин, В. М. Павлов, A. S. Karyagina, В. Г. Лунин
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules22121884

Identification, In Vitro Testing and Molecular Docking Studies of Microginins’ Mechanism of Angiotensin-Converting Enzyme Inhibition
Cited by: 10
Author(s): F.C.R. Paiva, Gláucio Monteiro Ferreira, Gustavo Henrique Goulart Trossini, Ernani Pinto
Software Mentions: 1
Published: almost 7 years ago

10.3390/molecules25204868

Post-Catalytic Complexes with Emtricitabine or Stavudine and HIV-1 Reverse Transcriptase Reveal New Mechanistic Insights for Nucleotide Incorporation and Drug Resistance
Cited by: 3
Author(s): Nicole Bertoletti, Albert H. Chan, Raymond F. Schinazi, Karen S. Anderson
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules201019526

Fluorescence and Docking Studies of the Interaction between Human Serum Albumin and Pheophytin
Cited by: 62
Author(s): Otávio Augusto Chaves, Ana Paula de Oliveira Amorim, Larissa Henriques Evangelista Castro, Carlos Maurício R. Sant’Anna, Márcia C.C. de Oliveira, Darí Cesarín-Sobrinho, José Carlos Netto‐Ferreira, Aurélio B. B. Ferreira
Software Mentions: 1
Published: about 9 years ago

10.3390/molecules180911467

Probing the Residual Structure in Avian Prion Hexarepeats by CD, NMR and MD Techniques
Cited by: 7
Author(s): Luigi Russo, Luca Raiola, Maria Anna Campitiello, Antonio Magrı̀, Roberto Fattorusso, Gaetano Malgieri, Giuseppe Pappalardo, Diego La Mendola, Carla Isernia
Software Mentions: 1
Published: about 11 years ago

10.3390/molecules25235501

Novel Small-Molecule Scaffolds as Candidates against the SARS Coronavirus 2 Main Protease: A Fragment-Guided in Silico Approach
Cited by: 11
Author(s): Teresa L. Augustin, Roxanna Hajbabaie, Matthew T. Harper, Taufiq Rahman
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules25184094

Identification of Novel Src Inhibitors: Pharmacophore-Based Virtual Screening, Molecular Docking and Molecular Dynamics Simulations
Cited by: 25
Author(s): Yi Zhang, Tingjian Zhang, Shun Tu, Zhenghao Zhang, Fan‐hao Meng
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules21040404

The Chemical Composition of Achillea wilhelmsii C. Koch and Its Desirable Effects on Hyperglycemia, Inflammatory Mediators and Hypercholesterolemia as Risk Factors for Cardiometabolic Disease
Cited by: 21
Author(s): Elian Khazneh, Petra Hřibová, Jan Hošek, Pavel Suchý, Péter Kollár, Gabriela Pražanová, Jan Muselík, Zuzana Hanáková, Jiří Václavík, Michał Miłek, Jaroslav Legáth, Karel Šmejkal
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules26040991

Novel Inhibitors of Nicotinamide-N-Methyltransferase for the Treatment of Metabolic Disorders
Cited by: 14
Author(s): Aimo Kannt, Sridharan Rajagopal, Mahanandeesha Siddappa Hallur, Indu N. Swamy, Rajendra Kristam, Saravanakumar Dhakshinamoorthy, Jörg Czech, Gernot Zech, Herman Schreuder, Sven Ruf
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules23071660

Theoretical Studies on Catalysis Mechanisms of Serum Paraoxonase 1 and Phosphotriesterase Diisopropyl Fluorophosphatase Suggest the Alteration of Substrate Preference from Paraoxonase to DFP
Cited by: 7
Author(s): Hao Zhang, Ling Yang, Ying Ying, Chaoyuan Zhu, Sheng‐Hsien Lin, Rong‐Zhen Liao
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules25061414

Unknown Areas of Activity of Human Ribonuclease Dicer: A Putative Deoxyribonuclease Activity
Cited by: 8
Author(s): Marta Wojnicka, Agnieszka Szczepańska, Anna Kurzyńska-Kokorniak
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules26051346

Swapping the Positions in a Cross-Strand Lateral Ion-Pairing Interaction between Ammonium- and Carboxylate-Containing Residues in a β-Hairpin
Cited by: 6
Author(s): Cheng-Hsin Huang, Tong Wai Wong, Chen-Hsu Yu, Jing-Yuan Chang, Shing‐Jong Huang, Shou‐Ling Huang, Richard P. Cheng
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules16010532

White Spot Syndrome Virus Orf514 Encodes a Bona Fide DNA Polymerase
Cited by: 8
Author(s): Enrique de-la-Re-Vega, Karina D. García-Orozco, Aldo A. Arvizu‐Flores, Glória Yépiz-Plascencia, Adriana Muhlia‐Almazán, Jesús Hernández, Luis G. Brieba, Rogerio R. Sotelo‐Mundo
Software Mentions: 1
Published: almost 14 years ago

10.3390/molecules18032878

New Tacrine Analogs as Acetylcholinesterase Inhibitors — Theoretical Study with Chemometric Analysis
Cited by: 12
Author(s): Paweł Szymański, Robert Skibiński, Tadeusz Inglot, Marek Bajda, Jakub Jończyk, Barbara Malawska, Elżbieta Mikiciuk-Olasik
Software Mentions: 1
Published: over 11 years ago

10.3390/molecules24101874

Synthesis, Docking and Biological Evaluation of a Novel Class of Imidazothiazoles as IDO1 Inhibitors
Cited by: 17
Author(s): M. Teresa Serafini, Enza Torre, Silvio Aprile, Alberto Massarotti, Silvia Fallarini, Tracey Pirali
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26030611

Structural Impacts of Drug-Resistance Mutations Appearing in HIV-2 Protease
Cited by: 3
Author(s): Pierre Laville, Michel Petitjean, Leslie Regad
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules24132493

Interactome Analysis and Docking Sites of MutS Homologs Reveal New Physiological Roles in Arabidopsis thaliana
Cited by: 4
Author(s): Mohamed Ragab Abdel Gawwad, Aida Marić, Abdullah Ahmed Al-Ghamdi, Ashraf Atef Hatamleh
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules16010738

Modulation of the Pharmacological Activities of Secretory Phospholipase A2 from Crotalus durissus cascavella Induced by Naringin
Cited by: 5
Author(s): Marcelo Leite dos Santos, Daniela O. Toyama, Simone Cristina Buzzo de Oliveira, Camila A. Cotrim, Eduardo B. S. Diz-Filho, Fábio Henrique Ramos Fagundes, Verônica Cristina Gomes Soares, Ricardo Aparício, Marcos Hikari Toyama
Software Mentions: 1
Published: almost 14 years ago

10.3390/molecules24010150

Aflatoxin B1–Formamidopyrimidine DNA Adducts: Relationships between Structures, Free Energies, and Melting Temperatures
Cited by: 21
Author(s): Martin Klvaňa, Urban Bren
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules200611459

Plasmodium falciparum Thioredoxin Reductase (PfTrxR) and Its Role as a Target for New Antimalarial Discovery
Cited by: 13
Author(s): Sara E. McCarty, Amanda N. Schellenberger, Douglas C. Goodwin, René Fuanta, Babu L. Tekwani, Ángela I. Calderón
Software Mentions: 1
Published: over 9 years ago

10.3390/molecules25245891

New Multifunctional Agents Based on Conjugates of 4-Amino-2,3-polymethylenequinoline and Butylated Hydroxytoluene for Alzheimer’s Disease Treatment
Cited by: 21
Author(s): G. F. Makhaeva, N. V. Kovaleva, Е. В. Рудакова, Natalia P. Boltneva, Sofya V. Lushchekina, I. I. Faingold, Д. А. Полетаева, Yuliya V. Soldatova, R. A. Kotelnikova, И. В. Серков, А. К. Устинов, А. Н. Прошин, Eugene V. Radchenko, Vladimir A. Palyulin, Rudy J. Richardson
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules21081062

Influence of Cysteine and Tryptophan Substitution on DNA-Binding Activity on Maize α-Hairpinin Antimicrobial Peptide
Cited by: 26
Author(s): Daniel Amaro Sousa, William F. Porto, Maria Z Silva, Tatiane R da Silva, Octávio Luiz Franco
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules21040410

Synthesis, Molecular Modelling and Biological Evaluation of Novel Heterodimeric, Multiple Ligands Targeting Cholinesterases and Amyloid Beta
Cited by: 28
Author(s): Michalina Hebda, Marek Bajda, Anna Więckowska, Natalia Szałaj, Anna Pasieka, Dawid Panek, Justyna Godyń, Tomasz Wichur, Damijan Knez, Stanislav Gobec, Barbara Malawska
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules24162893

Insight into the PTP1B Inhibitory Activity of Arylbenzofurans: An In Vitro and In Silico Study
Cited by: 14
Author(s): Srijan Shrestha, Su Hui Seong, Seul Gi Park, Byung Sun Min, Hyun Ah Jung, Jae Sue Choi
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26071905

Na+/K+-ATPase Revisited: On Its Mechanism of Action, Role in Cancer, and Activity Modulation
Cited by: 38
Author(s): Jiří Bejček, Vojtěch Spiwok, Eva Kmonı́čková, Silvie Rimpelová
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules26030721

Computational Design of Macrocyclic Binders of S100B(ββ): Novel Peptide Theranostics
Cited by: 4
Author(s): Srinivasaraghavan Kannan, Pietro G. A. Aronica, Thanh Bình Nguyễn, Jianguo Li, Chandra Verma
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules24010076

Structural Changes of the Trinuclear Copper Center in Bilirubin Oxidase upon Reduction
Cited by: 3
Author(s): Takaki Tokiwa, Mitsuo Shoji, Vladimı́r Sládek, Naoki Shibata, Yoshiki Higuchi, Keisuke Kataoka, Takeshi Sakurai, Yasuteru Shigeta, Fuminori Misaizu
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules25041005

Study on Cecropin B2 Production via Construct Bearing Intein Oligopeptide Cleavage Variants
Cited by: 2
Author(s): Yiwen Fang, Siyu Li, Nien-Jen Hu, Jie Yang, Jyung-Hurng Liu, Yung-Chuan Liu
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules24173180

Design, Synthesis and Molecular Docking Analysis of Flavonoid Derivatives as Potential Telomerase Inhibitors
Cited by: 10
Author(s): Zhan-Fang Fan, Sai-Tim Ho, Rui Wen, Ya Fu, Lei Zhang, Jian Wang, Chun Hu, Pang‐Chui Shaw, Liu Yang
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules24071194

A Single Mutation Increases the Thermostability and Activity of Aspergillus terreus Amine Transaminase
Cited by: 9
Author(s): Wei Zhu, Sheng Hu, Changjiang Lv, Zhao Wang, Hongpeng Wang, Jiaqi Mei, Lehe Mei, Jun Huang
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules25102362

Carbonic Anhydrase-IX Guided Albumin Nanoparticles for Hypoxia-mediated Triple-Negative Breast Cancer Cell Killing and Imaging of Patient-derived Tumor
Cited by: 11
Author(s): Katyayani Tatiparti, Mohd Ahmar Rauf, Samaresh Sau, Arun K. Iyer
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules26164851

Bioactive Polyketide and Diketopiperazine Derivatives from the Mangrove-Sediment-Derived Fungus Aspergillus sp. SCSIO41407
Cited by: 10
Author(s): Jian Cai, Chunmei Chen, Yanhui Tan, Wei-Hao Chen, Xiaowei Luo, Lianxiang Luo, Bin Yang, Yonghong Liu, Xuefeng Zhou
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules26051389

Genetically Encodable Scaffolds for Optimizing Enzyme Function
Cited by: 2
Author(s): Yong Quan Tan, Bin Xue, Wen Shan Yew
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules26092593

Antiviral Properties of the NSAID Drug Naproxen Targeting the Nucleoprotein of SARS-CoV-2 Coronavirus
Cited by: 23
Author(s): Benjamin Terrier, Sébastien Dilly, Andrés Pizzorno, Dominika Chalupská, Jana Humpolíčková, Evžen Bouřa, Francis Bérenbaum, Stéphane Quideau, Bruno Lina, Bruno Fève, Frédéric Adnet, Michèle Sabbah, Manuel Rosa‐Calatrava, Vincent Maréchal, Julien Henri, Anny Slama-Schwok
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules26041103

In Silico Strategy for Targeting the mTOR Kinase at Rapamycin Binding Site by Small Molecules
Cited by: 8
Author(s): Serena Vittorio, Rosaria Gitto, Ilenia Adornato, Emilio Russo, Laura De Luca
Software Mentions: 1
Published: almost 4 years ago

10.3390/molecules26123601

Novel Substrates for Kinases Involved in the Biosynthesis of Inositol Pyrophosphates and Their Enhancement of ATPase Activity of a Kinase
Cited by: 1
Author(s): Raja Mohanrao, R. Manorama, Shubhra Ganguli, Mithun C. Madhusudhanan, Rashna Bhandari, Kana M. Sureshan
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules25092258

Search for ABCB1 Modulators Among 2-Amine-5-Arylideneimidazolones as a New Perspective to Overcome Cancer Multidrug Resistance
Cited by: 9
Author(s): Aneta Kaczor, Márta Nové, Annamária Kincses, Ewa Szymańska, Gniewomir Latacz, Jadwiga Handzlik
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules24234344

Dual Insecticidal Effects of Adenanthera pavonina Kunitz-Type Inhibitor on Plodia interpunctella is Mediated by Digestive Enzymes Inhibition and Chitin-Binding Properties
Cited by: 4
Author(s): Caio Fernando Ramalho de Oliveira, Taylla Michelle de Oliveira Flores, Marlon Henrique Cardoso, Karen G. N. Oshiro, Raphael Russi, Anderson Felipe Jácome de França, Elizeu A. Santos, Octávio L. Franco, Adeliana S. Oliveira, Ludovico Migliolo
Software Mentions: 1
Published: almost 5 years ago

10.3390/molecules26092508

Identification of Novel Inhibitors of Escherichia coli DNA Ligase (LigA)
Cited by: 1
Author(s): Arqam Alomari, Robert Michael Nicholas Gowland, Callum Southwood, Jak Barrow, Zoe Bentley, Jashel Calvin-Nelson, Alice Kaminski, Matthew LeFevre, Anastasia J. Callaghan, Helen A. Vincent, Darren M. Gowers
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules191016223

Structural Elucidation of the DFG-Asp in and DFG-Asp out States of TAM Kinases and Insight into the Selectivity of Their Inhibitors
Cited by: 9
Author(s): Abdellah Messoussi, Lucile Peyronnet, Clémence Feneyrolles, Gwénaël Chevé, Khalid Bougrin, Abdelaziz Yasri
Software Mentions: 1
Published: about 10 years ago

10.3390/molecules22040522

Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1δ and Their Structural Relation to p38α MAPK
Cited by: 33
Author(s): Jakob Halekotte, Lydia Witt, Chiara Ianes, Marc Krüger, Mike Bührmann, Daniel Rauh, C. Pichlo, Elena Brunstein, Andreas Luxenburger, Ulrich Baumann, Uwe Knippschild, Joachim Bischof, Christian Peifer
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules26072048

Isolation, Structure Elucidation and In Silico Prediction of Potential Drug-Like Flavonoids from Onosma chitralicum Targeted towards Functionally Important Proteins of Drug-Resistant Bad Bugs
Cited by: 6
Author(s): Shakeel Ahmad Khan, Shafi Ullah Khan, Fozia Fozia, Najeeb Ullah, Mohibullah Shah, Riaz Ullah, Ijaz Ahmad, Amal Alotaibi
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules22040659

Synthesis, Biological Evaluation, and Molecular Docking Studies of Novel Isatin-Thiazole Derivatives as α-Glucosidase Inhibitors
Cited by: 35
Author(s): Zhenzhen Xie, Guangcheng Wang, Jing Wang, Ming Chen, Peng Ya-ping, Luyao Li, Bing Deng, Shan Chen, Wenbiao Li
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules25194453

Inhibitory Potential of Polyclonal Camel Antibodies against New Delhi Metallo-β-lactamase-1 (NDM-1)
Cited by: 4
Author(s): Rahma Ben Abderrazek, Sarra Chammam, Ayoub Ksouri, Mariagrazia Perilli, Sayda Dhaouadi, Ines Mdini, Zakaria Benlasfar, Gianfranco Amicosante, Balkiss Bouhaouala‐Zahar, Alessandra Piccirilli
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules25215187

Insights into a Protein-Nanoparticle System by Paramagnetic Perturbation NMR Spectroscopy
Cited by: 5
Author(s): Yamanappa Hunashal, Cristina Cantarutti, Sofia Giorgetti, Loredana Marchese, Federico Fogolari, Gennaro Esposito
Software Mentions: 1
Published: about 4 years ago

10.3390/molecules25071497

Multitarget Anticancer Agents Based on Histone Deacetylase and Protein Kinase CK2 Inhibitors
Cited by: 18
Author(s): Regina Martínez, Bruno Di Geronimo, Miryam Pastor, José María Zapico, Claire Coderch, R. R. Panchuk, N. R. Skorokhyd, Maciej Masłyk, Ana Ramos, Beatriz de Pascual‐Teresa
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules26123719

Laccases: Versatile Biocatalysts for the Synthesis of Heterocyclic Cores
Cited by: 25
Author(s): Ana Catarina Sousa, Lı́gia O. Martins, M. Paula Robalo
Software Mentions: 1
Published: over 3 years ago

10.3390/molecules24112161

Synthesis and Cytotoxicity of 7,9-O-Linked Macrocyclic C-Seco Taxoids
Cited by: 2
Author(s): Zujiang Yu, Tianen Wang, Alberto Mills, Federico Gago, Wei‐Shuo Fang
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules25061259

Mycobacterium tuberculosis Shikimate Pathway Enzymes as Targets for the Rational Design of Anti-Tuberculosis Drugs
Cited by: 37
Author(s): J. Nunes, Mario A Duque, Talita Freitas de Freitas, Luiza Galina, Luís Fernando Saraiva Macedo Timmers, Cristiano Valim Bizarro, Pablo Machado, Luiz Augusto Basso, Rodrigo G. Ducati
Software Mentions: 1
Published: over 4 years ago

10.3390/molecules22101604

Kinetics and Molecular Docking Studies of 6-Formyl Umbelliferone Isolated from Angelica decursiva as an Inhibitor of Cholinesterase and BACE1
Cited by: 25
Author(s): Yousof Ali, Su Hui Seong, Machireddy Rajeshkumar Reddy, Sung Yong Seo, Jae Sue Choi, Hyun Ah Jung
Software Mentions: 1
Published: about 7 years ago

10.3390/molecules25030654

Preparation and Characterization of Octenyl Succinate β-Cyclodextrin and Vitamin E Inclusion Complex and Its Application in Emulsion
Cited by: 8
Author(s): Dongmei Ke, Wenxue Chen, Yong‐Huan Yun, Qiuping Zhong, Xiaotang Su, Haiming Chen
Software Mentions: 1
Published: almost 5 years ago

10.3390/molecules23123279

Inhibitory Effect of Naphthoquinone-Tryptophan Hybrid towards Aggregation of PAP f39 Semen Amyloid
Cited by: 14
Author(s): Guru KrishnaKumar Viswanathan, Satabdee Mohapatra, Ashim Paul, Elad Arad, Raz Jelinek, Ehud Gazit, Daniel Segal
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules25081980

In Vitro and in Vivo Activity of mTOR Kinase and PI3K Inhibitors Against Leishmania donovani and Trypanosoma brucei
Cited by: 14
Author(s): Trong-Nhat Phan, Kyunghwa Baek, Nakyung Lee, Soo Young Byun, David Shum, Joo Hwan No
Software Mentions: 1
Published: over 4 years ago

10.3390/v12030333

Preparation, Characterization and Diagnostic Valuation of Two Novel Anti-HPV16 E7 Oncoprotein Monoclonal Antibodies
Cited by: 3
Author(s): Renjian Hu, Zhen Dong, Kui Zhang, Guoqing Pan, Chongyang Li, Hongjuan Cui
Software Mentions: 1
Published: over 4 years ago

10.3390/v12030276

Influenza A Virus Antibodies with Antibody-Dependent Cellular Cytotoxicity Function
Cited by: 19
Author(s): Rongyuan Gao, Zizhang Sheng, Chithra Sreenivasan, Dan Dan Wang, Liang Feng
Software Mentions: 1
Published: over 4 years ago

10.3390/v12050502

Molecular Evolution and Structural Mapping of N-Terminal Domain in Spike Gene of Middle East Respiratory Syndrome Coronavirus (MERS-CoV)
Cited by: 4
Author(s): Asif Naeem, Maaweya E. Hamed, Majed F. Alghoribi, Waleed Aljabr, Hadel Alsaran, Mushira Enani, Bandar Alosaimi
Software Mentions: 1
Published: over 4 years ago

10.3390/v12050518

Influenza Virus Like Particles (VLPs): Opportunities for H7N9 Vaccine Development
Cited by: 23
Author(s): Peter Pushko, Irina Tretyakova
Software Mentions: 1
Published: over 4 years ago

10.3390/v12060687

Live Visualization of Hemagglutinin Dynamics during Infection by Using a Novel Reporter Influenza A Virus
Cited by: 2
Author(s): Luiz Gustavo dos Anjos Borges, Giuseppe Pisanelli, Oyahida Khatun, Adolfo Garcı́a-Sastre, Shashank Tripathi
Software Mentions: 1
Published: over 4 years ago

10.3390/v12070698

Distinct New York City Aedes albopictus Mosquito Populations Display Differences in Salivary Gland Protein D7 Diversity and Chikungunya Virus Replication
Cited by: 10
Author(s): Maria E. Kaczmarek, Nora L. Herzog, María G. Noval, John Zuzworsky, Zahir Shah, Waheed I. Bajwa, Kenneth A. Stapleford
Software Mentions: 1
Published: over 4 years ago

10.3390/v12070693

Viral Membrane Fusion and the Transmembrane Domain
Cited by: 31
Author(s): Chelsea T. Barrett, Rebecca Ellis Dutch
Software Mentions: 1
Published: over 4 years ago

10.3390/v12091053

Structural Biology of Influenza Hemagglutinin: An Amaranthine Adventure
Cited by: 34
Author(s): Nicholas C. Wu, Ian A. Wilson
Software Mentions: 1
Published: about 4 years ago

10.3390/v12090989

Bile Facilitates Human Norovirus Interactions with Diverse Histoblood Group Antigens, Compensating for Capsid Microvariation Observed in 2016–2017 GII.2 Strains
Cited by: 8
Author(s): Michael L. Mallory, Lisa C. Lindesmith, Paul D. Brewer-Jensen, Rachel L. Graham, Ralph S. Baric
Software Mentions: 1
Published: about 4 years ago

10.3390/v12101102

Treatment with Exogenous Trypsin Expands In Vitro Cellular Tropism of the Avian Coronavirus Infectious Bronchitis Virus
Cited by: 4
Author(s): Phoebe Stevenson-Leggett, Sarah Keep, Erica Bickerton
Software Mentions: 1
Published: about 4 years ago

10.3390/v12111225

A Highly Conserved Epitope (RNNQIPQDF) of Porcine teschovirus Induced a Group-Specific Antiserum: A Bioinformatics-Predicted Model with Pan-PTV Potential
Cited by: 5
Author(s): Tung-Hsuan Tsai, Chia‐Yi Chang, Fun-In Wang
Software Mentions: 1
Published: about 4 years ago

10.3390/v12111316

Wine Phenolic Compounds Differently Affect the Host-Killing Activity of Two Lytic Bacteriophages Infecting the Lactic Acid Bacterium Oenococcus oeni
Cited by: 8
Author(s): Cécile Philippe, Amel Chaïb, Féty Jaomanjaka, Stéphanie Cluzet, Alain E. Lagarde, Patricia Ballestra, Alain Décendit, Mélina Petrel, Olivier Claisse, Adeline Goulet, Christian Cambillau, Claire Le Marrec
Software Mentions: 1
Published: about 4 years ago

10.3390/v12121361

The Lipid Transfer Protein 1 from Nicotiana benthamiana Assists Bamboo mosaic virus Accumulation
Cited by: 10
Author(s): Ling‐Ying Chiu, I‐Hsuan Chen, Yau‐Heiu Hsu, Ching‐Hsiu Tsai
Software Mentions: 1
Published: almost 4 years ago

10.3390/v13010033

The Polarity of an Amino Acid at Position 1891 of Severe Fever with Thrombocytopenia Syndrome Virus L Protein Is Critical for the Polymerase Activity
Cited by: 5
Author(s): Kisho Noda, Yuichi Tsuda, Fumiya Kozawa, Manabu Igarashi, Kenta Shimizu, Jiro Arikawa, Kumiko Yoshimatsu
Software Mentions: 1
Published: almost 4 years ago

10.3390/v13010095

Whole-Genome Analyses Identifies Multiple Reassortant Rotavirus Strains in Rwanda Post-Vaccine Introduction
Cited by: 8
Author(s): Sebotsana Rasebotsa, Jeannine Uwimana, Milton T. Mogotsi, Kebareng G. Rakau, Nonkululeko B. Magagula, Mapaseka L Seheri, Jason M. Mwenda, M. Jeffrey Mphahlele, Saheed Sabiu, Richard Mihigo, Léon Mutesa, Martin M. Nyaga
Software Mentions: 1
Published: almost 4 years ago

10.3390/v13010136

Structural Mapping of Mutations in Spike, RdRp and Orf3a Genes of SARS-CoV-2 in Influenza Like Illness (ILI) Patients
Cited by: 4
Author(s): Bandar Alosaimi, Asif Naeem, Majed F. Alghoribi, Liliane Okdah, Maaweya E. Hamed, Ahmad S. AlYami, Athari Alotaibi, Mushira Enani
Software Mentions: 1
Published: almost 4 years ago

10.3390/v13020159

Solution NMR Determination of the CDHR3 Rhinovirus-C Binding Domain, EC1
Cited by: 1
Author(s): Woonghee Lee, Ronnie O. Frederick, Marco Tonelli, Ann C. Palmenberg
Software Mentions: 1
Published: almost 4 years ago

10.3390/v13020174

Crystal Structure of SARS-CoV-2 Main Protease in Complex with the Non-Covalent Inhibitor ML188
Cited by: 70
Author(s): G.J. Lockbaum, Archie C. Reyes, Jeong Min Lee, Ronak Tilvawala, E.A. Nalivaika, Akbar Ali, Neşe Kurt Yilmaz, Paul R. Thompson, Celia A. Schiffer
Software Mentions: 1
Published: almost 4 years ago

10.3390/v13020220

Development of Monoclonal Antibodies for Detection of Conserved and Variable Epitopes of Large Protein of Rabies Virus
Cited by: 6
Author(s): Wen Zhao, Jingyin Su, Naiyu Zhao, Jie Liu, Shuo Su
Software Mentions: 1
Published: almost 4 years ago

10.3390/v13020333

Rational Design of a Pan-Coronavirus Vaccine Based on Conserved CTL Epitopes
Cited by: 13
Author(s): Minchao Li, Jinfeng Zeng, Ruiting Li, Zhiping Wen, Yanhui Cai, Jeffrey J. Wallin, Yuelong Shu, Xiangjun Du, Caijun Sun
Software Mentions: 1
Published: over 3 years ago

10.3390/v13030376

Human Astroviruses: A Tale of Two Strains
Cited by: 7
Author(s): Virginia Hargest, Amy Davis, Shaoyuan Tan, Valerie Cortez, Stacey Schultz‐Cherry
Software Mentions: 1
Published: over 3 years ago

10.3390/v13030479

Design, Synthesis and Characterization of HIV-1 CA-Targeting Small Molecules: Conformational Restriction of PF74
Cited by: 10
Author(s): Rajkumar Lalji Sahani, Raquel Diana-Rivero, Sanjeev Kumar V. Vernekar, Lei Wang, Haijuan Du, Huanchun Zhang, Andres Emanuelli Castaner, Mary C. Casey, Karen A. Kirby, Philip R. Tedbury, Jiashu Xie, Stefan G. Sarafianos, Zhengqiang Wang
Software Mentions: 1
Published: over 3 years ago

10.3390/v13050718

Coxsackievirus B3—Its Potential as an Oncolytic Virus
Cited by: 15
Author(s): Anja Geisler, Ahmet Hazini, Lisanne Heimann, Jens Kurreck, Henry Fechner
Software Mentions: 1
Published: over 3 years ago

10.3390/v13050800

Structural Insight into Non-Enveloped Virus Binding to Glycosaminoglycan Receptors: A Review
Cited by: 8
Author(s): Marie Sorin, Jasmin Kuhn, Aleksandra Cecylia Stasiak, Thilo Stehle
Software Mentions: 1
Published: over 3 years ago

10.3390/v13050770

Discovery of New Small Molecule Hits as Hepatitis B Virus Capsid Assembly Modulators: Structure and Pharmacophore-Based Approaches
Cited by: 14
Author(s): Sameera Senaweera, Haijuan Du, Huanchun Zhang, Karen A. Kirby, Philip R. Tedbury, Jiashu Xie, Stefan G. Sarafianos, Zhengqiang Wang
Software Mentions: 1
Published: over 3 years ago

10.3390/v13050760

Atypical Porcine Pestiviruses: Relationships and Conserved Structural Features
Cited by: 3
Author(s): Christiane Riedel, H. Aitkenhead, Kamel El Omari, Till Rümenapf
Software Mentions: 1
Published: over 3 years ago

10.3390/v13050837

Structure-Based and Rational Design of a Hepatitis C Virus Vaccine
Cited by: 6
Author(s): Johnathan D. Guest, Brian G. Pierce
Software Mentions: 1
Published: over 3 years ago

10.3390/v13050875

Viruses with U-DNA: New Avenues for Biotechnology
Cited by: 2
Author(s): Krisztina Nagy, Mikael Skurnik, Beáta G. Vértessy
Software Mentions: 1
Published: over 3 years ago

10.3390/v13050883

Mutation in a SARS-CoV-2 Haplotype from Sub-Antarctic Chile Reveals New Insights into the Spike’s Dynamics
Cited by: 9
Author(s): Jorge González-Puelma, Jacqueline Aldridge, Marco Montes de, Mónica Pinto, Roberto Uribe-Paredes, José Fernández-Goycoolea, Diego Álvarez-Saravia, Hermy Álvarez, Gonzalo Encina, Thomas Weitzel, Rodrigo Muñóz, Álvaro Olivera-Nappa, Sergio Pantano, Marcelo A. Navarrete
Software Mentions: 1
Published: over 3 years ago

10.3390/v13061115

The SARS-CoV-2 Nucleocapsid Protein and Its Role in Viral Structure, Biological Functions, and a Potential Target for Drug or Vaccine Mitigation
Cited by: 142
Author(s): Zhihua Bai, Ying Cao, Wenjun Liu, Jing Li
Software Mentions: 1
Published: over 3 years ago

10.3390/v13061084

Examination of the APOBEC3 Barrier to Cross Species Transmission of Primate Lentiviruses
Cited by: 12
Author(s): Amit Gaba, Ben Flath, Linda Chelico
Software Mentions: 1
Published: over 3 years ago

10.3390/v13060987

A Novel Broad Host Range Phage Infecting Alteromonas
Cited by: 7
Author(s): Xuejin Feng, Wei Yan, Anan Wang, Ruijie Ma, Xiaowei Chen, Ta-Hui Lin, Yi‐Lung Chen, Shuzhen Wei, Tao Jin, Nianzhi Jiao, Rui Zhang
Software Mentions: 1
Published: over 3 years ago

10.3390/v13061034

Genomic Analysis of a Novel Phage Infecting the Turkey Pathogen Escherichia coli APEC O78 and Its Endolysin Activity
Cited by: 5
Author(s): Sangsang Deng, Qiang Xu, Yajuan Fu, Liping Liang, Yan Wu, Fang Peng, Meiying Gao
Software Mentions: 1
Published: over 3 years ago

10.3390/v13071336

Adeno-Associated Virus (AAV) Gene Delivery: Dissecting Molecular Interactions upon Cell Entry
Cited by: 23
Author(s): Edward Large, Mark Silveria, Grant M. Zane, Onellah Weerakoon, Michael S. Chapman
Software Mentions: 1
Published: over 3 years ago

10.3390/v13071407

The Molecular Evolution of Type 2 Vaccine-Derived Polioviruses in Individuals with Primary Immunodeficiency Diseases
Cited by: 9
Author(s): Koichi Kitamura, Hiroyuki Shimizu
Software Mentions: 1
Published: over 3 years ago

10.3390/v13081615

What Binds Cationic Photosensitizers Better: Brownian Dynamics Reveals Key Interaction Sites on Spike Proteins of SARS-CoV, MERS-CoV, and SARS-CoV-2
Cited by: 6
Author(s): Vladimir A. Fedorov, Ekaterina G. Kholina, Sergei Khruschev, I. B. Kovalenko, A. B. Rubin, M. G. Strakhovskaya
Software Mentions: 1
Published: over 3 years ago