Article
Biochemistry & Molecular Biology
Kazunori Matsuura, Seiya Fujita
Summary: The study constructed an artificial viral capsid containing azobenzene, which could self-assemble into capsids of different sizes and encapsulate and release fluorescently labeled dextrans.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Multidisciplinary Sciences
Manish Gupta, Alexander J. Pak, Gregory A. Voth
Summary: Researchers use molecular dynamics simulations to reveal the molecular mechanism of HIV-1 capsid formation, including the role of IP6. This study shows that IP6 initially promotes curvature generation by trapping pentameric defects and shifts the assembly behavior towards kinetically favored outcomes. Additionally, IP6 can stabilize metastable capsid intermediates and induce structural pleomorphism in mature capsids.
Article
Chemistry, Multidisciplinary
Ruijie D. Teo, D. Peter Tieleman
Summary: The past century has seen waves of viral pandemics, increasing the importance of molecular simulation research. In this study, all-atom molecular dynamics were used to simulate an enterovirus-D68 capsid and its dependency on AMBER and CHARMM force fields was examined. Results showed that CHARMM36m and CHARMM36 produced secondary structures most consistent with protein structural data and sampled the largest conformational space.
Article
Microbiology
Stefano Trapani, Eijaz Ahmed Bhat, Michel Yvon, Josephine Lai-Kee-Him, Francois Hoh, Marie-Stephanie Vernerey, Elodie P. Pirolles, Melia Bonnamy, Guy P. Schoehn, Jean-Louis Zeddam, Stephane P. Blanc, Patrick Bron
Summary: The genome of multipartite viruses is divided into segments that are encapsidated separately. There are two hypothesis about how these viral systems maintain genome integrity. After studying a nanovirus (FBNSV), it was found that there were no major structural differences depending on the encapsidated segment. Further experiments demonstrated that the viral genome moves long distance as assembled viral particles, suggesting independent and random propagation of the distinct segments.
Article
Multidisciplinary Sciences
Alexis Huet, Bonnie Oh, Josh Maurer, Robert L. Duda, James F. Conway
Summary: Tailed bacteriophages and herpesviruses use a scaffold to assemble icosahedral capsids, with hexameric capsomers on the faces and pentameric capsomers at most vertices. The portal vertex structure of bacteriophage HK97 procapsid was determined, revealing a scaffold formed by the major capsid protein. The scaffold is organized into rigid helix-turn-strand structures on the capsomers and trimeric coiled-coil towers around the portal, explaining the coordination of assembly at this early step.
Article
Nanoscience & Nanotechnology
Hironaga Noguchi, Yoshiki Nakamura, Sayaka Tezuka, Takakazu Seki, Kazuki Yatsu, Takuma Narimatsu, Yasuaki Nakata, Yuhei Hayamizu
Summary: Biosensors with two-dimensional materials have gained wide interest due to their high sensitivity. Among them, single-layer MoS2 has become a new class of biosensing platform owing to its semiconducting property. Immobilization of bioprobes directly onto the MoS2 surface with chemical bonding or random physisorption has been widely studied. However, these approaches potentially cause a reduction of conductivity and sensitivity of the biosensor.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Tanachote Ruengsatra, Arthitaya Meeprasert, Eakkaphon Rattanangkool, Sirikan Deesiri, Jakkrit Srisa, Udomsak Udomnilobol, Wilasinee Dunkoksung, Natthaya Chuaypen, Rattanaporn Kiatbumrung, Pisit Tangkijvanich, Sornkanok Vimolmangkang, Khanitha Pudhom, Thomayant Prueksaritanont
Summary: This study used computational modeling to investigate the binding characteristics between HBV core protein and two pyrrole-scaffold inhibitors, leading to the discovery of a novel series of compounds. The most promising lead compound, CU15, exhibited sub-nanomolar potency and good pharmacokinetic profiles.
Article
Biochemistry & Molecular Biology
Ankit Ganeshpurkar, Ravi Singh, Devendra Kumar, Pravin Gore, Shalini Shivhare, Divya Sardana, Swetha Rayala, Ashok Kumar, Sushil Kumar Singh
Summary: In this study, new compounds with strong inhibition activity against BChE were successfully developed. These compounds exhibited non-competitive inhibition against BChE and showed good cell permeability and cell viability. Molecular docking and molecular dynamics analysis revealed the interactions between the compounds and BChE, as well as the stability of the protein-ligand complexes.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Chemistry, Multidisciplinary
Ulyana Shimanovich, Aviad Levin, Dror Eliaz, Thomas Michaels, Zenon Toprakcioglu, Birgitto Frohm, Erwin De Genst, Sara Linsey, Karin S. Akerfeldt, Tuomas P. J. Knowles
Summary: Peptides and proteins can self-assemble into supramolecular entities through non-covalent interactions, providing the functional basis of life. Environmental conditions, such as pH, can modulate these assembly processes, inspiring the development of responsive functional materials based on peptide building blocks. The stimuli-responsive assembly of amyloidogenic peptide can be used to create environmentally responsive microcapsules for controlled release of biomolecules like antibodies.
Article
Engineering, Electrical & Electronic
Miao Sun, Shuangshuang Zhang, Zhenhong Jia, Xiaoyi Lv, Xiaohui Huang
Summary: The proposed biological detection device assembled with porous silicon and Bragg structures greatly improves sensitivity and detection limit, offering advantages of high detection sensitivity, label-free operation, and low cost.
IEEE SENSORS JOURNAL
(2021)
Article
Chemistry, Medicinal
Eric P. Gillis, Kyle Parcella, Michael Bowsher, James H. Cook, Christiana Iwuagwu, B. Narasimhulu Naidu, Manoj Patel, Kevin Peese, Haichang Huang, Lourdes Valera, Chunfu Wang, Kasia Kieltyka, Dawn D. Parker, Jean Simmermacher, Eric Arnoult, Robert T. Nolte, Liping Wang, John A. Bender, David B. Frennesson, Mark Saulnier, Alan Xiangdong Wang, Nicholas A. Meanwell, Makonen Belema, Umesh Hanumegowda, Susan Jenkins, Mark Krystal, John F. Kadow, Mark Cockett, Robert Fridell
Summary: Long-acting HIV-1 antiretroviral therapy offers advantages over daily oral therapy, but the criteria for compounds entering clinical development are high. This study reports the discovery of capsid inhibitors with a quinazolinone core that maintain potent activity against HIV-1 infection while tolerating structural modifications. The characterization of a prototypical compound, GSK878, including X-ray co-crystal structure and pharmacokinetic data in animals, is presented.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Materials Science, Biomaterials
Kentarou Sakamoto, Kohsuke Uchiyama, Takashi Iwasaki, Hiroshi Inaba, Kazunori Matsuura
Summary: In this study, a Burkitt lymphoma-specific DNA aptamer-labeled nanocarrier was developed using the beta-Annulus peptide, forming a spherical nanoassembly called artificial viral capsid. The DNA aptamer-decorated artificial viral capsid showed the formation of spherical assemblies with a diameter of approximately 50-150 nm, selectively internalized into the Burkitt lymphoma cell line, Daudi, and selectively killed Daudi cells when complexed with doxorubicin.
JOURNAL OF MATERIALS CHEMISTRY B
(2023)
Article
Chemistry, Inorganic & Nuclear
Hui Min, Tiankai Sun, Wenyue Cui, Zongsu Han, Peiyu Yao, Peng Cheng, Wei Shi
Summary: We report a metal-organic framework-based artificial chemical receptor that shows excellent neurotransmitter selectivity towards serotonin in human plasma with an ultra-low limit of detection of 36 nM. Visual detection of serotonin is achieved through colorimetric change of the receptor, allowing for point-of-care diagnostics using a smartphone camera.
INORGANIC CHEMISTRY
(2023)
Article
Biochemistry & Molecular Biology
Risako Kobayashi, Hiroshi Inaba, Kazunori Matsuura
Summary: This study utilized self-assembling beta-annulus peptides to construct an artificial viral capsid model and analyzed the effects of molecular crowding environment on the formation process of viral capsids. The results showed that the apparent particle size and dissociation constant (K-d) of the assemblies decreased with increasing concentration of the molecular crowding agent, polyethylene glycol (PEG). This study represents the first successful in situ analysis of the self-assembling process of artificial viral capsids under molecular crowding conditions.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Analytical
Tao Gong, Shu Zhu, Suqiong Huang, Pengcheng Gu, Yan Xiong, Jing Zhang, Xinhui Jiang
Summary: In this study, a chiral sensor was designed and constructed using molecular self-assembly method, which could effectively recognize tryptophan isomers. The sensor exhibited good linearity and renewable ability, and could be used for qualitative and quantitative determination of Trp isomers. Its feasibility in actual sample detection was verified through successful application in rat serum.
ANALYTICA CHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Jared N. King, Vanessa J. Lee, Susanna Ahola, Ville-Veikko Telkki, Tyler Meldrum
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2016)
Article
Chemistry, Analytical
Nicholas A. Udell, Robyn E. Hodgkins, Barbara H. Berrie, Tyler Meldrum
MICROCHEMICAL JOURNAL
(2017)
Article
Chemistry, Multidisciplinary
Jared N. King, Alfredo Fallorina, Justin Yu, Guannan Zhang, Ville-Veikko Telkki, Christian Hilty, Tyler Meldrum
Article
Biochemical Research Methods
Tyler Meldrum, Leif Schroeder, Philipp Denger, David E. Wemmer, Alexander Pines
JOURNAL OF MAGNETIC RESONANCE
(2010)
Article
Biochemical Research Methods
Tyler Meldrum, Vikram S. Bajaj, David E. Wemmer, Alexander Pines
JOURNAL OF MAGNETIC RESONANCE
(2011)
Article
Chemistry, Multidisciplinary
Praveena D. Garimella, Tyler Meldrum, Leah S. Witus, Monica Smith, Vikram S. Bajaj, David E. Wemmer, Matthew B. Francis, Alexander Pines
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2014)
Article
Chemistry, Multidisciplinary
Gwendoline R. Fife, Bascha Stabik, Allison E. Kelley, Jared N. King, Bernhard Bluemich, Rene Hoppenbrouwers, Tyler Meldrum
MAGNETIC RESONANCE IN CHEMISTRY
(2015)
Article
Chemistry, Multidisciplinary
Xiao Ma, Victoria Beltran, Georg Ramer, Georges Pavlidis, Dilworth Y. Parkinson, Mathieu Thoury, Tyler Meldrum, Andrea Centrone, Barbara H. Berrie
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2019)
Article
Chemistry, Multidisciplinary
Mary Rooney, Tyler Meldrum
MAGNETIC RESONANCE IN CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Lyndi Kiple, John Ballenger, Kristina Keating, Anagi M. M. Balachandra, Tyler Meldrum
Summary: Single-sided NMR instruments use inhomogeneous magnetic fields to probe physical properties of materials. We developed an algorithmic approach to position flat samples coplanar with the magnet's sensitive region. This positioning process improves the spatial resolution of single-sided NMR measurements for planar samples in research and industrial settings.
MAGNETIC RESONANCE IN CHEMISTRY
(2023)
Article
Chemistry, Applied
Lyndi Kiple, Tyler Lee, Gillian Zavaglia, Tyler Meldrum
Summary: In this study, single-sided 1H NMR relaxometry was used to characterize the molecular environments in both dry and wet acrylic paints by their molecular mobilities. Two different relaxation behaviors were identified in dry paint, indicating regions of greater and lesser mobility, attributed to amorphous and crystalline domains of the semi-crystalline acrylic polymer. In wet paint, two different relaxation behaviors were characterized, hypothesized to come from unique molecular environments in the acrylic binding medium, along with two simultaneous exchange processes involving aqueous solvent.
PROGRESS IN ORGANIC COATINGS
(2023)
Article
Polymer Science
Mackenzie Kelley, Nastaran Abdol, Parviz Soroushian, Kristina Keating, Anagi M. Balachandra, Tyler Meldrum
JOURNAL OF POLYMER SCIENCE
(2020)
Meeting Abstract
Chemistry, Multidisciplinary
Tyler Meldrum, Mary Rooney
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
Article
Chemistry, Inorganic & Nuclear
Madeline Brass, Frances Morin, Tyler Meldrum
Meeting Abstract
Chemistry, Multidisciplinary
Nick Udell, Robyn Hodgkins, Barbara Berrie, Tyler Meldrum
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)