10.1186/s13068-020-01836-3

Characterization of an AA9 LPMO from Thielavia australiensis, TausLPMO9B, under industrially relevant lignocellulose saccharification conditions
Cited by: 25
Author(s): Federica Calderaro, Mesut Keser, Michiel Akeroyd, Loes E. Bevers, Vincent G. H. Eijsink, Anikó Várnai, M. A. Berg
Software Mentions: 1
Published: almost 6 years ago

10.1186/s13068-017-0925-7

Structure of a Thermobifida fusca lytic polysaccharide monooxygenase and mutagenesis of key residues
Cited by: 40
Author(s): Nathan Kruer-Zerhusen, Markus Alahuhta, В.В. Лунин, Michael E. Himmel, Yannick J. Bomble, David B. Wilson
Software Mentions: 1
Published: almost 9 years ago

10.1186/s13068-016-0544-8

Improvement of the thermostability and catalytic efficiency of a highly active β-glucanase from Talaromyces leycettanus JCM12802 by optimizing residual charge–charge interactions
Cited by: 27
Author(s): Shuai You, Tao Tu, Lujia Zhang, Yuan Wang, Huoqing Huang, Rui Ma, Pengjun Shi, Yingguo Bai, Xiaoyun Su, Zhemin Lin, Huiying Luo, Bin Yao
Software Mentions: 1
Published: over 10 years ago

10.1186/1754-6834-5-73

Microbial β-glucosidases from cow rumen metagenome enhance the saccharification of lignocellulose in combination with commercial cellulase cocktail
Cited by: 72
Author(s): Mercedes V. del Pozo, Lucía Fernández‐Arrojo, Jorge Gil-Martínez, Alejandro Montesinos, Tatyana N. Chernikova, Taras Y. Nechitaylo, Agnes Waliszek, Marta Tortajada, Antonia Rojas, Sharon Huws, Olga V. Golyshina, C. J. Newbold, Julio Polaina, Manuel Ferrer, Peter N. Golyshin
Software Mentions: 1
Published: almost 14 years ago

10.1186/s13068-020-01738-4

Biochemical characteristics and molecular mechanism of an exo-type alginate lyase VxAly7D and its use for the preparation of unsaturated monosaccharides
Cited by: 22
Author(s): Luyao Tang, Ying Wang, Shan Gao, Hao Wu, Danni Wang, Wengong Yu, Feng Han
Software Mentions: 1
Published: over 6 years ago

10.1186/s13068-021-01984-0

Two Fusarium copper radical oxidases with high activity on aryl alcohols
Cited by: 10
Author(s): Maria E. Cleveland, Mickaël Lafond, Fan Xia, Ryan Chung, Paul Mulyk, Jason E. Hein, Harry Brumer
Software Mentions: 1
Published: over 5 years ago

10.1186/s13068-018-1080-5

Enhancing the catalytic activity of a novel GH5 cellulase GtCel5 from Gloeophyllum trabeum CBS 900.73 by site-directed mutagenesis on loop 6
Cited by: 57
Author(s): Fu‐Chun Zheng, Tao Tu, Xiaoyu Wang, Yuan Wang, Rui Ma, Xiaoyun Su, Xiangming Xie, Bin Yao, Huiying Luo
Software Mentions: 1
Published: over 8 years ago

10.1080/13102818.2014.960663

Interactions of non-natural halogenated substrates with D-specific dehalogenase (DehD) mutants using<i>in silico</i>studies
Cited by: 3
Author(s): İsmaila Yada Sudi, Mohd Shahir Shamsir, Haryati Jamaluddin, Roswanira Abdul Wahab, Fahrul Huyop
Software Mentions: 1
Published: about 12 years ago

10.1007/s10529-021-03135-9

A single point mutation converts a glutaryl-7-aminocephalosporanic acid acylase into an N-acyl-homoserine lactone acylase
Cited by: 0
Author(s): Shereen Asha Murugayah, Gary B. Evans, Joel D. A. Tyndall, Monica L. Gerth
Software Mentions: 1
Published: over 5 years ago

10.1002/bdrc.21145

Wide spectrum of NR5A1‐related phenotypes in 46,XY and 46,XX individuals
Cited by: 49
Author(s): Sorahia Domenice, Aline Zamboni Machado, Frederico Moraes Ferreira, Bruno Ferraz-de-Souza, Antônio Marcondes Lerário, Lin Lin, Mirian Yumie Nishi, Nathália Lisboa Gomes, Thatiana Evelin da Silva, Rosana Barbosa Silva, Rafaela Vieira Corrêa, Luciana Ribeiro Montenegro, Amanda Narciso, Elaine Maria Frade Costa, John C. Achermann, Berenice B. Mendonca
Software Mentions: 1
Published: almost 10 years ago

10.1038/s41408-021-00446-y

Evolutionary action score identifies a subset of TP53 mutated myelodysplastic syndrome with favorable prognosis
Cited by: 5
Author(s): Rashmi Kanagal‐Shamanna, Guillermo Montalban‐Bravo, Panagiotis Katsonis, Koji Sasaki, Caleb A. Class, Elias Jabbour, David A. Sallman, Anthony M. Hunter, Christopher B. Benton, Kelly S. Chien, Rajyalakshmi Luthra, Carlos E. Bueso‐Ramos, Tapan M. Kadia, Michael Andreeff, Rami Komrokji, Najla H Al Ali, Mark J. Routbort, Joseph D. Khoury, Keyur P. Patel, Irene Gañán-Gómez, Yue Wei, Gautam Borthakur, Farhad Ravandi, Kim Anh, Kelly A. Soltysiak, Olivier Lichtarge, L. Jeffrey Medeiros, Hagop M. Kantarjian, Guillermo Garcia‐Manero
Software Mentions: 1
Published: over 5 years ago

10.1111/bph.15196

Uncoupling sodium channel dimers restores the phenotype of a pain‐linked Na_v1.7 channel mutation
Cited by: 18
Author(s): Annika H. Rühlmann, Jannis Körner, Ralf Hausmann, Nikolay Bebrivenski, Christian Neuhof, Silvia Detro‐Dassen, Petra Hautvast, Carène Benasolo, Jannis Meents, Jan‐Philipp Machtens, Günther Schmalzing, Angelika Lampert
Software Mentions: 1
Published: about 6 years ago

10.1093/brain/awx013

SLC30A9 mutation affecting intracellular zinc homeostasis causes a novel cerebro-renal syndrome
Cited by: 67
Author(s): Yonatan Perez, Zamir Shorer, Keren Liani-Leibson, Pauline Chabosseau, Rotem Kadir, Michael Volodarsky, Daniel Halpérin, S. Barber-Zucker, Hanna Shalev, Ruth Schreiber, Libe Gradstein, Evgenia Gurevich, Raz Zarivach, Guy A. Rutter, Daniel Landau
Software Mentions: 1
Published: over 9 years ago

10.1093/brain/aws231

Adults with RRM2B-related mitochondrial disease have distinct clinical and molecular characteristics
Cited by: 67
Author(s): Robert D S Pitceathly, Conrad Smith, Carl Fratter, Charlotte L. Alston, Langping He, Kate Craig, Emma L. Blakely, Julie Evans, John M. Taylor, Zarfishan Shabbir, Marcus Deschauer, Ute Pohl, Mark Roberts, Matthew Jackson, Christopher Halfpenny, Peter D. Turnpenny, Peter Lunt, Michael G. Hanna, Andrew M. Schaefer, Robert McFarland, Rita Horvath, Patrick F. Chinnery, Doug M. Turnbull, Joanna Poulton, Robert W. Taylor, Gráinne Gorman
Software Mentions: 1
Published: almost 14 years ago

10.1002/brb3.1293

Angiogenin mutations in Hungarian patients with amyotrophic lateral sclerosis: Clinical, genetic, computational, and functional analyses
Cited by: 7
Author(s): Kornélia Tripolszki, Judit Danis, Aditya K. Padhi, James Gomes, Renáta Bozó, Zsófia Flóra Nagy, Dóra Nagy, Péter Klivényi, J. Engelhardt, Márta Széll
Software Mentions: 1
Published: over 7 years ago

10.3390/brainsci8120213

Design of Linear and Cyclic Mutant Analogues of Dirucotide Peptide (MBP82–98) against Multiple Sclerosis: Conformational and Binding Studies to MHC Class II
Cited by: 4
Author(s): George Deraos, Eftichia Kritsi, Minos‐Timotheos Matsoukas, Konstantina Christopoulou, Hubert Kalbacher, Panagiotis Zoumpoulakis, Vasso Apostolopoulos, John Matsoukas
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules21070824

Activating and Attenuating the Amicoumacin Antibiotics
Cited by: 43
Author(s): Hyun Bong Park, Corey E Perez, Elena K. Perry, Jason M. Crawford
Software Mentions: 1
Published: about 10 years ago

10.3390/molecules26082195

Beneficial Effects of Cyclic Ether 2-Butoxytetrahydrofuran from Sea Cucumber Holothuria scabra against Aβ Aggregate Toxicity in Transgenic Caenorhabditis elegans and Potential Chemical Interaction
Cited by: 9
Author(s): Taweesak Tangrodchanapong, Nilubon Sornkaew, Laphatrada Yurasakpong, Nakorn Niamnont, Chanin Nantasenamat, Prasert Sobhon, Krai Meemon
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules23123135

Bioactivity-Guided Separation of Potential D2 Dopamine Receptor Antagonists from Aurantii Fructus based on Molecular Docking Combined with High-Speed Counter-Current Chromatography
Cited by: 9
Author(s): Yun He, Shihao Zhu, Changqiao Wu, Ying Lü, Qi Tang
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules23102607

Aminobenzosuberone Scaffold as a Modular Chemical Tool for the Inhibition of Therapeutically Relevant M1 Aminopeptidases
Cited by: 8
Author(s): Emmanuel Salomon, Marjorie Schmitt, Anil Kumar Marapaka, Athanasios Stamogiannos, Germain Revelant, Carine Schmitt, Sarah Alavi, Isabelle Florent, A. Addlagatta, Efstratios Stratikos, Céline Tarnus, Sébastien Albrecht
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules26103032

Effect of Sodium Valproate on the Conformational Stability of the Visual G Protein-Coupled Receptor Rhodopsin
Cited by: 1
Author(s): Neda Razzaghi, Pol Fernandez-Gonzalez, Aina Mas-Sanchez, Guillem Vila-Julià, Juan J. Pérez, Pere Garriga
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules20046319

Insights into the Antimicrobial Properties of Hepcidins: Advantages and Drawbacks as Potential Therapeutic Agents
Cited by: 46
Author(s): Lisa Lombardi, Giuseppantonio Maisetta, Giovanna Batoni, Arianna Tavanti
Software Mentions: 1
Published: over 11 years ago

10.3390/molecules23081959

Truly Target-Focused Pharmacophore Modeling: A Novel Tool for Mapping Intermolecular Surfaces
Cited by: 30
Author(s): Jérémie Mortier, Pratik Dhakal, Andrea Volkamer
Software Mentions: 1
Published: about 8 years ago

10.3390/molecules24040810

Selective Inhibition of Human Monoamine Oxidase B by Acacetin 7-Methyl Ether Isolated from Turnera diffusa (Damiana)
Cited by: 33
Author(s): Narayan D. Chaurasiya, Jianping Zhao, Pankaj Pandey, Robert J. Doerksen, Ilias Muhammad, Babu L. Tekwani
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules23040785

Comparative Evaluation of the Antioxidant and Anti-Alzheimer’s Disease Potential of Coumestrol and Puerarol Isolated from Pueraria lobata Using Molecular Modeling Studies
Cited by: 12
Author(s): Prashamsa Koirala, Su Hui Seong, Hyun Ah Jung, Jae Sue Choi
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules26020475

Molecular Docking Suggests the Targets of Anti-Mycobacterial Natural Products
Cited by: 17
Author(s): Rafael Baptista, Sumana Bhowmick, Jianying Shen, Luis A. J. Mur
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules23020249

Interaction between Saikosaponin D, Paeoniflorin, and Human Serum Albumin
Cited by: 13
Author(s): Guo-Wu Liang, Yicun Chen, Yi Wang, Hongmei Wang, Xiangyu Pan, Peihong Chen, Qing-Xia Niu
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules25092163

Discovery of Novel Imidazopyridine GSK-3β Inhibitors Supported by Computational Approaches
Cited by: 9
Author(s): Rosa Buonfiglio, Federica Prati, Martina Bischetti, Claudia Cavarischia, Guido Furlotti, Rosella Ombrato
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules171011826

Inhibition of 11b-HSD1 by Tetracyclic Triterpenoids from Euphorbia kansui
Cited by: 16
Author(s): Jie Guo, Li Zhou, Hongping He, Ying Liu, Zhen Yang, Xiao‐Jiang Hao
Software Mentions: 1
Published: almost 14 years ago

10.3390/molecules25235694

Encapsulation of Risperidone by Methylated β-Cyclodextrins: Physicochemical and Molecular Modeling Studies
Cited by: 9
Author(s): Laura Sbârcea, Ionuț-Mihai Tănase, Adriana Ledeţi, Denisa Cîrcioban, Gabriela Vlase, Paul Barvinschi, Marinela Miclău, Renata-Maria Văruţ, Cristina Trandafirescu, Ionuţ Ledeţi
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules25225285

Design, Synthesis and Biological Evaluation of (2′,5′ and 3′5′-Linked) cGAMP Analogs that Activate Stimulator of Interferon Genes (STING)
Cited by: 7
Author(s): Xin Xie, Junyi Liu, Xiaowei Wang
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules22122048

Synthesis, Analysis, Cholinesterase-Inhibiting Activity and Molecular Modelling Studies of 3-(Dialkylamino)-2-hydroxypropyl 4-[(Alkoxy-carbonyl)amino]benzoates and Their Quaternary Ammonium Salts
Cited by: 8
Author(s): Tereza Padrtová, Pavlína Marvanová, Klára Odehnalová, Renáta Kubínová, Oscar Parravicini, Adriana Garro, Ricardo D. Enriz, Otakar Humpa, Michal Oravec, Petr Mokrý
Software Mentions: 1
Published: almost 9 years ago

10.3390/molecules26185606

Proteasomal Degradation of Zn-Dependent Hdacs: The E3-Ligases Implicated and the Designed Protacs That Enable Degradation
Cited by: 3
Author(s): Laura Márquez-Cantudo, Ana Ramos, Claire Coderch, Beatriz de Pascual‐Teresa
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules25225405

In Silico Analysis and In Vitro Characterization of the Bioactive Profile of Three Novel Peptides Identified from 19 kDa α-Zein Sequences of Maize
Cited by: 13
Author(s): Jorge L. Díaz-Gómez, Ines Neundorf, Laura Margarita López-Castillo, Fabiola Castorena‐Torres, Sergio O. Serna‐Saldívar, Silverio García‐Lara
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules26154599

Betulin, a Newly Characterized Compound in Acacia auriculiformis Bark, Is a Multi-Target Protein Kinase Inhibitor
Cited by: 5
Author(s): AA Ahmadu, Claire Delehouzé, Anas Haruna, Lukman Mustapha, Bilqis A. Lawal, Aniefiok Udobre, Blandine Baratte, Camilla Triscornia, Axelle Autret, Robert Thomas, J. Chloë Bulinski, Morgane Rousselot, Mélanie Simoes Eugénio, Marie‐Thérèse Dimanche‐Boitrel, Jacobus P. Petzer, Lesetja J. Legoabe, Stéphane Bach
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules25153429

Antinociceptive and Cytotoxic Activity of Opioid Peptides with Hydrazone and Hydrazide Moieties at the C-Terminus
Cited by: 11
Author(s): Jolanta Dyniewicz, Piotr F. J. Lipiński, Piotr Kossoń, Marta Bochyńska-Czyż, Joanna Matalińska, Aleksandra Misicka
Software Mentions: 1
Published: about 6 years ago

10.3390/molecules171112882

Solvent-Free Synthesis, DNA-Topoisomerase II Activity and Molecular Docking Study of New Asymmetrically N,N'-Substituted Ureas
Cited by: 8
Author(s): Andressa Esteves-Souza, Cláudio Eduardo Rodrigues-Santos, Catarina de Nigris Del Cistia, Daniel Rosa da Silva, Carlos Maurício R. Sant’Anna, Aurea Echevarrı́a
Software Mentions: 1
Published: almost 14 years ago

10.3390/molecules24193489

Atroxlysin-III, A Metalloproteinase from the Venom of the Peruvian Pit Viper Snake Bothrops atrox (Jergón) Induces Glycoprotein VI Shedding and Impairs Platelet Function
Cited by: 11
Author(s): Luciana Souza de Oliveira, Maria Inácia Estevão-Costa, Valéria Gonçalves de Alvarenga, Dan Vivas-Ruiz, Armando Yarlequé, Augusto Martins Lima, Ana M. Cavaco, Johannes A. Eble, Eladio Flores Sánchez
Software Mentions: 1
Published: almost 7 years ago

10.3390/molecules25204798

Topological Regulation of the Bioactive Conformation of a Disulfide-Rich Peptide, Heat-Stable Enterotoxin
Cited by: 5
Author(s): Shigeru Shimamoto, Mayu Fukutsuji, Toi Osumi, Masaya Goto, Hiroshi Toyoda, Yuji Hidaka
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules24122331

Design, Synthesis and Biological Evaluation of 7-Chloro-9H-pyrimido[4,5-b]indole-based Glycogen Synthase Kinase-3β Inhibitors
Cited by: 10
Author(s): С. А. Андреев, Tatu Pantsar, Francesco Ansideri, Mark Kudolo, Michael Förster, Dieter Schollmeyer, Stefan Laufer, Pierre Koch
Software Mentions: 1
Published: about 7 years ago

10.3390/molecules23061313

Molecular Docking of Potential Inhibitors of Broccoli Myrosinase
Cited by: 15
Author(s): Juan Román, Antonio del Castillo, Andrea Mahn
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules24193422

Design, Synthesis, and Biological Evaluation of Novel Thienopyrimidine Derivatives as PI3Kα Inhibitors
Cited by: 4
Author(s): Lide Yu, Qinqin Wang, Caolin Wang, Binliang Zhang, Zunhua Yang, Fang Yuan, Wufu Zhu, Pengwu Zheng
Software Mentions: 1
Published: almost 7 years ago

10.3390/molecules26071816

In Vitro Study of the Fibrinolytic Activity via Single Chain Urokinase-Type Plasminogen Activator and Molecular Docking of FGFC1
Cited by: 7
Author(s): Chunli Gao, Quan Shen, Pengjie Tang, Yuling Cao, Hou‐Wen Lin, Bailin Li, Peng Sun, Bin Bao, Wenhui Wu
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26092742

Computational Design of Novel Allosteric Inhibitors for Plasmodium falciparum DegP
Cited by: 5
Author(s): Sadaf Shehzad, Rajan Kumar Pandey, Pawan Malhotra, Dinesh Gupta
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26051451

The Complex Structure of Protein AaLpxC from Aquifex aeolicus with ACHN-975 Molecule Suggests an Inhibitory Mechanism at Atomic-Level against Gram-Negative Bacteria
Cited by: 2
Author(s): Shuai Fan, Danyang Li, Maocai Yan, Xiao Feng, Guixia Lv, Guoxing Wu, Yuanyuan Jin, Yucheng Wang, Zhaoyong Yang
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules21070823

Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking
Cited by: 17
Author(s): Guizhi Sun, Ting Fan, Na Zhang, Tongxiang Ren, Lu Zhao, Rugang Zhong
Software Mentions: 1
Published: about 10 years ago

10.3390/molecules23020347

Design, Synthesis, and Biological Evaluation of 2-(Benzylamino-2-Hydroxyalkyl)Isoindoline-1,3-Diones Derivatives as Potential Disease-Modifying Multifunctional Anti-Alzheimer Agents
Cited by: 24
Author(s): Dawid Panek, Anna Więckowska, Anna Pasieka, Justyna Godyń, Jakub Jończyk, Marek Bajda, Damijan Knez, Stanislav Gobec, Barbara Malawska
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules25235533

Inhibiting the NLRP3 Inflammasome
Cited by: 60
Author(s): Lina Y El-Sharkawy, David Brough, Sally Freeman
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules23092116

Structure-Based Discovery and Synthesis of Potential Transketolase Inhibitors
Cited by: 16
Author(s): Jingqian Huo, Bin Zhao, Zhe Zhang, Jihong Xing, Jinlin Zhang, Jingao Dong, Zhijin Fan
Software Mentions: 1
Published: about 8 years ago

10.3390/molecules26082157

Native Structure-Based Peptides as Potential Protein–Protein Interaction Inhibitors of SARS-CoV-2 Spike Protein and Human ACE2 Receptor
Cited by: 22
Author(s): Norbert Odolczyk, Ewa Marzec, Maria Winiewska-Szajewska, Jarosław Poznański, Piotr Zielenkiewicz
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26133957

Ditopic Aza-Scorpiand Ligands Interact Selectively with ds-RNA and Modulate the Interaction upon Formation of Zn2+ Complexes
Cited by: 1
Author(s): Lluís Guijarro, Álvaro Martínez‐Camarena, Javier U. Chicote, Antonio Garcı́a-España, Enrique Garcı́a-España, Mario Inclán, Begoña Verdejo, Jorge González‐García
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules25194494

Discovery of Novel Indoleamine 2,3-Dioxygenase 1 (IDO1) and Histone Deacetylase 1 (HDAC1) Dual Inhibitors Derived from the Natural Product Saprorthoquinone
Cited by: 8
Author(s): Yang‐I Lin, Heyanhao Zhang, Tong Niu, Mingkai Tang, Jun Chang
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules24020305

Cell Responses to Extracellular α-Synuclein
Cited by: 31
Author(s): Alexei Surguchev, Fatemeh Nouri Emamzadeh, Andrei Surguchov
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules25204850

Engineering Stem Cell Factor Ligands with Different c-Kit Agonistic Potencies
Cited by: 6
Author(s): Tal Tilayov, Tal Hingaly, Yariv Greenshpan, Shira Cohen, Barak Akabayov, Roi Gazit, Niv Papo
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules26071834

QSAR and Pharmacophore Modeling of Nitrogen Heterocycles as Potent Human N-Myristoyltransferase (Hs-NMT) Inhibitors
Cited by: 9
Author(s): Magdi E. A. Zaki, Sami A. Al‐Hussain, Vijay H. Masand, Siddhartha Akasapu, Israa Lewaa
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules23112926

Investigation of New Orexin 2 Receptor Modulators Using In Silico and In Vitro Methods
Cited by: 5
Author(s): Jana Janočková, Rafael Doležal, Eugenie Nepovimová, Tereza Kobrlová, Markéta Benková, Kamil Kuča, J. Konečný, Eva Mezeiová, Michaela Melikova, Vendula Hepnarová, Avi Ring, Ondřej Soukup, Jan Korábečný
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules26041007

Structural and Thermodynamic Analysis of the Resistance Development to Pimodivir (VX-787), the Clinical Inhibitor of Cap Binding to PB2 Subunit of Influenza A Polymerase
Cited by: 7
Author(s): Jiřı́ Gregor, Kateřina Radilová, J. Brynda, Jindřich Fanfrlík, Jan Konvalinka, Milan Kožíšek
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules26164816

Triarylborane Dyes as a Novel Non-Covalent and Non-Inhibitive Fluorimetric Markers for DPP III Enzyme
Cited by: 4
Author(s): Ž. Ban, Zrinka Karačić, Sanja Tomić, Hashem Amini, Todd B. Marder, Ivo Piantanida
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules21111534

Oxoisoaporphine as Potent Telomerase Inhibitor
Cited by: 11
Author(s): Zu‐Zhuang Wei, Qi‐Pin Qin, Jia-Nian Chen, Zhen-Feng Chen
Software Mentions: 1
Published: almost 10 years ago

10.3390/molecules25092195

Effects of a Reserve Protein on Spodoptera frugiperda Development: A Biochemical and Molecular Approach to the Entomotoxic Mechanism
Cited by: 2
Author(s): Carolina Turatti Oliveira, Suzy Wider Machado, Cézar da Silva Bezerra, Marlon Henrique Cardoso, Octávio L. Franco, Carlos P. Silva, Demetrio Gomes Alves, Cristina Rios, Maria Lígia Rodrigues Macedo
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules23040917

A Comparative Genomic Survey Provides Novel Insights into Molecular Evolution of l-Aromatic Amino Acid Decarboxylase in Vertebrates
Cited by: 7
Author(s): Yanping Li, Yunyun Lv, Chao Bian, Xinxin You, Li Deng, Qiong Shi
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules23071630

Molecular Diversity of Alkenal Double Bond Reductases in the Liverwort Marchantia paleacea
Cited by: 4
Author(s): Yifeng Wu, Hongbo Zheng, Xinyan Li, Ai‐Xia Cheng, Hongxiang Lou
Software Mentions: 1
Published: about 8 years ago

10.3390/molecules25010159

Structural Bases for the Fitness Cost of the Antibiotic-Resistance and Lethal Mutations at Position 1408 of 16S rRNA
Cited by: 3
Author(s): Jiro Kondo, M. Koganei
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules25081889

Synthesis, Docking, and In Vitro Anticoagulant Activity Assay of Hybrid Derivatives of Pyrrolo[3,2,1-ij]Quinolin-2(1H)-one as New Inhibitors of Factor Xa and Factor XIa
Cited by: 16
Author(s): Nadezhda P. Novichikhina, İvan Ilin, Anna Tashchilova, А. В. Сулимов, Danil Kutov, Irina V. Ledenyova, M. Yu. Krysin, Kh. S. Shikhaliev, Anna Gantseva, Ekaterina Gantseva, Н. А. Подоплелова, В. Б. Сулимов
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules23102726

Structural Basis for the Interaction between p53 Transactivation Domain and the Mediator Subunit MED25
Cited by: 11
Author(s): Min‐Sung Lee, Kyung-Eun Lim, Mi-Kyung Lee, Seung‐Wook Chi
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules24050996

Identification of Leishmania major UDP-Sugar Pyrophosphorylase Inhibitors Using Biosensor-Based Small Molecule Fragment Library Screening
Cited by: 8
Author(s): Ohm Prakash, Jana Führing, John Post, Sharon M. Shepherd, T.C. Eadsforth, David W. Gray, Roman Fedorov, Françoise H. Routier
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules24132360

(F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase
Cited by: 2
Author(s): Sonia de Castro, Cristina Ferrer-Orta, Alberto Mills, Gloria Fernández-Cureses, Federico Gago, N. Verdaguer, Marı́a-José Camarasa
Software Mentions: 1
Published: about 7 years ago

10.3390/molecules21060772

Design, Synthesis, and Biological Evaluation of Novel PARP-1 Inhibitors Based on a 1H-Thieno[3,4-d] Imidazole-4-Carboxamide Scaffold
Cited by: 6
Author(s): Lingxiao Wang, Feng Liu, Ning Jiang, Wenxia Zhou, Xinbo Zhou, Zhuo Zheng
Software Mentions: 1
Published: over 10 years ago

10.3390/molecules25225271

Cinnamides Target Leishmania amazonensis Arginase Selectively
Cited by: 13
Author(s): Edson Roberto da Silva, Júlio Abel Alfredo dos Santos Simone Come, Simone Brogi, Vincenzo Calderone, Giulia Chemi, Giuseppe Campiani, Trícia Maria Ferrreira de Sousa Oliveira, Thanh-Nhat Pham, Marc Pudlo, Christian Girard, Claudia do Carmo Maquiaveli
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules24091672

Design, Synthesis, and Mechanism of Dihydroartemisinin–Coumarin Hybrids as Potential Anti-Neuroinflammatory Agents
Cited by: 10
Author(s): Haonan Yu, Zhuang Hou, Xiaoguang Yang, Yanhua Mou, Chun Guo
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules24183234

Synthesis and Biological Evaluation of Disubstituted Pyrimidines as Selective 5-HT2C Agonists
Cited by: 2
Author(s): Juhyeon Kim, Yoonjung Kim, Ashwini M. Londhe, Ae Nim Pae, Hyunah Choo, Hak Joong Kim, Sun‐Joon Min
Software Mentions: 1
Published: about 7 years ago

10.3390/molecules21070829

Location and Effects of an Antitumoral Catechin on the Structural Properties of Phosphatidylethanolamine Membranes
Cited by: 6
Author(s): F. Javier Casado, José A. Teruel, Santos Casado, Antonio Gómez Ortíz, José Neptuno Rodrı́guez-López, Francisco J. Aranda
Software Mentions: 1
Published: about 10 years ago

10.3390/molecules23102465

Spatial Overlap of Claudin- and Phosphatidylinositol Phosphate-Binding Sites on the First PDZ Domain of Zonula Occludens 1 Studied by NMR
Cited by: 8
Author(s): Hidekazu Hiroaki, Kimio Satomura, Nobuhito Goda, Yukako Nakakura, Minami Hiranuma, Takeshi Tenno, Daizo Hamada, Takahisa Ikegami
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules23102410

An Ab Initio QM/MM Study of the Electrostatic Contribution to Catalysis in the Active Site of Ketosteroid Isomerase
Cited by: 15
Author(s): Xianwei Wang, Xiao He
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules22030431

Anti-Influenza Virus (H5N1) Activity Screening on the Phloroglucinols from Rhizomes of Dryopteris crassirhizoma
Cited by: 23
Author(s): Juan Wang, Yan-Tao Yan, Shen-Zhen Fu, Bing Peng, Linlin Bao, Yanling Zhang, Jing‐Hong Hu, Zhi-Gui Zeng, Deqin Geng, Zhuye Gao
Software Mentions: 1
Published: over 9 years ago

10.3390/molecules23010069

Structure Related Inhibition of Enzyme Systems in Cholinesterases and BACE1 In Vitro by Naturally Occurring Naphthopyrone and Its Glycosides Isolated from Cassia obtusifolia
Cited by: 21
Author(s): Srijan Shrestha, Su Hui Seong, Pradeep Paudel, Hyun Ah Jung, Jae Sue Choi
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules26030657

A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study
Cited by: 1
Author(s): Janek Bzdrenga, Elodie Trenet, Fabien Chantegreil, Kevin Bernal, Florian Nachon, Xavier Brazzolotto
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules25010147

Identifying Ortholog Selective Fragment Molecules for Bacterial Glutaredoxins by NMR and Affinity Enhancement by Modification with an Acrylamide Warhead
Cited by: 3
Author(s): Ram B. Khattri, Daniel L. Morris, Stephanie M. Bilinovich, Erendra Manandhar, Kahlilah R Napper, Jacob W Sweet, David A. Modarelli, Thomas C. Leeper
Software Mentions: 1
Published: over 6 years ago

10.3390/molecules25235535

In Silico Discovery of Antimicrobial Peptides as an Alternative to Control SARS-CoV-2
Cited by: 20
Author(s): Yamil Liscano, José Oñate-Garzón, Iván Darío Ocampo-Ibáñez
Software Mentions: 1
Published: almost 6 years ago

10.3390/molecules200917275

The Guareschi Pyridine Scaffold as a Valuable Platform for the Identification of Selective PI3K Inhibitors
Cited by: 3
Author(s): Ubaldina Galli, Elisa Ciraolo, Alberto Massarotti, Jean Piero Margaria, Giovanni Sorba, Emilio Hirsch, Gian Cesare Tron
Software Mentions: 1
Published: about 11 years ago

10.3390/molecules24071437

1,4-Naphthoquinone Analogues: Potent Antibacterial Agents and Mode of Action Evaluation
Cited by: 66
Author(s): Palanisamy Ravichandiran, Sunirmal Sheet, D. Premnath, Ae Rhan Kim, Dong Jin Yoo
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules19055550

In-Silico Analyses of Sesquiterpene-Related Compounds on Selected Leishmania Enzyme-Based Targets
Cited by: 25
Author(s): Freddy A. Bernal, Ericsson Coy-Barrera
Software Mentions: 1
Published: over 12 years ago

10.3390/molecules19078933

Flavonoids with M1 Muscarinic Acetylcholine Receptor Binding Activity
Cited by: 17
Author(s): Meyyammai Swaminathan, Chin Fei Chee, Sek Peng Chin, Michael J. C. Buckle, Noorsaadah Abd. Rahman, Stephen W. Doughty, Lip Yong Chung
Software Mentions: 1
Published: about 12 years ago

10.3390/molecules24091720

QM/MM Benchmarking of Cyanobacteriochrome Slr1393g3 Absorption Spectra
Cited by: 23
Author(s): Christian Wiebeler, Igor Schapiro
Software Mentions: 1
Published: over 7 years ago

10.3390/molecules181011873

Nuclear Magnetic Resonance Approaches in the Study of 2-Oxo Acid Dehydrogenase Multienzyme Complexes—A Literature Review
Cited by: 9
Author(s): Sowmini Kumaran, Mulchand S. Patel, Frank Jordan
Software Mentions: 1
Published: almost 13 years ago

10.3390/molecules19033744

Atomic Model and Micelle Dynamics of QS-21 Saponin
Cited by: 19
Author(s): Conrado Pedebos, Laércio Pol-Fachin, Ramón Pons, Cilâine Verônica Teixeira, Hugo Verli
Software Mentions: 1
Published: over 12 years ago

10.3390/molecules201119651

X-ray Crystallography, DFT Calculations and Molecular Docking of Indole-Arylpiperazine Derivatives as α1A-Adrenoceptor Antagonists
Cited by: 7
Author(s): Wei Xü, Junjun Huang, Binhao Shao, Xiaojie Xu, Ren‐Wang Jiang, Ming Yuan
Software Mentions: 1
Published: almost 11 years ago

10.3390/molecules26051224

Improving Blind Docking in DOCK6 through an Automated Preliminary Fragment Probing Strategy
Cited by: 9
Author(s): Paula Jofily, Pedro Geraldo Pascutti, Pedro Tôrres
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules22101619

NMR Detection of Semi-Specific Antibody Interactions in Serum Environments
Cited by: 12
Author(s): Saeko Yanaka, Toshio Yamazaki, Rina Yogo, Masanori Noda, Susumu Uchiyama, Hirokazu Yagi, Koichi Kato
Software Mentions: 1
Published: almost 9 years ago

10.3390/molecules26041038

Anti-Inflammatory, Antidiabetic Properties and In Silico Modeling of Cucurbitane-Type Triterpene Glycosides from Fruits of an Indian Cultivar of Momordica charantia L.
Cited by: 22
Author(s): Wilmer H. Perera, Siddanagouda R. Shivanagoudra, José L. Pérez, Da Mi Kim, Yuxiang Sun, G.K. Jayaprakasha
Software Mentions: 1
Published: over 5 years ago

10.3390/molecules19045421

Conformational Characterization of Ipomotaosides and Their Recognition by COX-1 and 2
Cited by: 4
Author(s): Pablo Ricardo Arantes, Liana Guimarães Sachett, Cedric Stephan Graebin, Hugo Verli
Software Mentions: 1
Published: over 12 years ago

10.3390/molecules23010102

Rational Design of a New Class of Toll-Like Receptor 4 (TLR4) Tryptamine Related Agonists by Means of the Structure- and Ligand-Based Virtual Screening for Vaccine Adjuvant Discovery
Cited by: 6
Author(s): Jan Honegr, Rafael Doležal, Dávid Maliňák, Markéta Benková, Ondřej Soukup, Joyce S. F. D. de Almeida, Tanos C. C. França, Kamil Kuča, Roman Prymula
Software Mentions: 1
Published: over 8 years ago

10.3390/molecules22122090

2-Substituted Aniline as a Simple Scaffold for LuxR-Regulated QS Modulation
Cited by: 6
Author(s): Sizhe Li, Julien Wawrzyniak, Yves Queneau, Laurent Soulère
Software Mentions: 1
Published: almost 9 years ago

10.3390/molecules23123058

On the Mechanism of Action of Anti-Inflammatory Activity of Hypericin: An In Silico Study Pointing to the Relevance of Janus Kinases Inhibition
Cited by: 20
Author(s): Luca Dellafiora, Gianni Galaverna, Gabriele Cruciani, Chiara Dall’Asta, Renato Bruni
Software Mentions: 1
Published: almost 8 years ago

10.3390/molecules26164863

Potential Anti-Alzheimer Agents from Guanidinyl Tryptophan Derivatives with Activities of Membrane Adhesion and Conformational Transition Inhibitions
Cited by: 0
Author(s): Pathomwat Wongrattanakamon, Jutamas Jiaranaikulwanitch, Opa Vajragupta, Supat Jiranusornkul, Chalermpong Saenjum, Wipawadee Yooin
Software Mentions: 1
Published: about 5 years ago

10.3390/molecules26040979

Antioxidant Activity Evaluation of FlexirubinType Pigment from Chryseobacterium artocarpi CECT 8497 and Related Docking Study
Cited by: 7
Author(s): Abeer Mogadem, Mohammed Al-Mamary, Naji Arafat Mahat, Khairunadwa Jemon, Wan Azlina Ahmad, Imran Ali
Software Mentions: 1
Published: over 5 years ago

10.1002/mgg3.376

Proliferative vasculopathy and hydranencephaly–hydrocephaly syndrome or Fowler syndrome: Report of a family and insight into the disease's mechanism
Cited by: 8
Author(s): Francesca Clementina Radio, Lavinia Di Meglio, Emanuele Agolini, Emanuele Bellacchio, Martina Rinelli, Paolo Toscano, Renata Boldrini, Antonio Novelli, Aniello Di Meglio, Bruno Dallapiccola
Software Mentions: 1
Published: over 8 years ago

10.1002/mgg3.1684

A novel <i>EDAR</i> missense mutation identified by whole‐exome sequencing with non‐syndromic tooth agenesis in a Chinese family
Cited by: 6
Author(s): Hongyu Zhang, Xuanting Kong, Jiabao Ren, Shuo Yuan, Chunyan Liu, Huihuang Yan, Ye Liu, Lingqiang Meng, Guozhong Zhang, Qingqing Du, Shen Weishou
Software Mentions: 1
Published: over 5 years ago

10.1002/mgg3.188

Cellular defects caused by hypomorphic variants of the Bloom syndrome helicase gene<i><scp>BLM</scp></i>
Cited by: 12
Author(s): Vivek M. Shastri, Kristina Schmidt
Software Mentions: 1
Published: almost 11 years ago

10.1002/mgg3.1686

A novel missense variant in <i>cathepsin C</i> gene leads to PLS in a Chinese patient: A case report and literature review
Cited by: 4
Author(s): Hui Yu, Xun He, Xiang-Qin Liu, Houbin Zhang, Zhu Shen, Yi Shi, Xiaoqi Liu
Software Mentions: 1
Published: over 5 years ago