Investigation of TGFβ1-Induced Long Noncoding RNAs in Endothelial Cells by Krishna K. Singh, Pratiek N. Matkar, Adrian Quan, Laura-Eve Mantella, Hwee Teoh, Mohammed Al-Omran, Subodh Verma

“…The most downregulated are notably involved in olfactory transduction, PI3-Akt signaling, Ras signaling, neuroactive ligand-receptor interaction, and apoptosis. Conclusions. …”
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TNF Superfamily: A Growing Saga of Kidney Injury Modulators by Maria D. Sanchez-Niño, Alberto Benito-Martin, Sara Gonçalves, Ana B. Sanz, Alvaro C. Ucero, Maria C. Izquierdo, Adrian M. Ramos, Sergio Berzal, Rafael Selgas, Marta Ruiz-Ortega, Jesus Egido, Alberto Ortiz

“…Tumor necrosis factor (TNF) and Fas ligand regulate renal cell survival and inflammation, and therapeutic targeting improves the outcome of experimental renal injury. …”
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Novel Organotin(IV) Schiff Base Complexes with Histidine Derivatives: Synthesis, Characterization, and Biological Activity by Ariadna Garza-Ortiz, Carlos Camacho-Camacho, Teresita Sainz-Espuñes, Irma Rojas-Oviedo, Luis Raúl Gutiérrez-Lucas, Atilano Gutierrez Carrillo, Marco A. Vera Ramirez

“…The spectroscopic evidence shows two types of structures: a trigonal bipyramidal stereochemistry with the tin atom coordinated to five donating atoms (two oxygen atoms, one nitrogen atom, and two carbon atoms belonging to the alkyl moieties), where one molecule of ligand is coordinated in a three dentate fashion. …”
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Rational design of novel phenol ether derivatives as non-covalent proteasome inhibitors through 3D-QSAR, molecular docking and ADMET prediction by Miao Yuan, Hanwen Ji, Fengxin Sun, Qiang Chen, Ping Cheng

“…Aim: The purpose of this paper is to use different structures and ligand-based drug design methods properly to provide theoretical guidance for the design of novel non-covalent proteasome inhibitors, and conduct theoretical analysis of the binding interaction mode between receptors and ligands. …”
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Antiallodynic Effects of Cannabinoid Receptor 2 (CB2R) Agonists on Retrovirus Infection-Induced Neuropathic Pain by Wen S. Sheng, Priyanka Chauhan, Shuxian Hu, Sujata Prasad, James R. Lokensgard

“…., JWH015, JWH133, and Gp1a, but not HU308 (5 mg/kg), significantly ameliorated allodynia when assessed 2 h after ligand injection. However, these same agonists (2x/wk) did not display antiallodynic effects when mechanical sensitivity was assessed 24 h after ligand injection. …”
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Structure and function of a β-1,2-galactosidase from Bacteroides xylanisolvens, an intestinal bacterium by Yutaka Nakazawa, Masumi Kageyama, Tomohiko Matsuzawa, Ziqin Liang, Kaito Kobayashi, Hisaka Shimizu, Kazuki Maeda, Miho Masuhiro, Sei Motouchi, Saika Kumano, Nobukiyo Tanaka, Kouji Kuramochi, Hiroyuki Nakai, Hayao Taguchi, Masahiro Nakajima

“…In the complex structure with methyl β-galactopyranose as a ligand, the ligand is only located at subsite +1. …”
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Prospective de novo drug design with deep interactome learning by Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F. Nippa, Michael Iff, Jann Ledergerber, Carl C. G. Schiebroek, Valentina Romeo, Jan A. Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider

“…We present a computational approach utilizing interactome-based deep learning for ligand- and structure-based generation of drug-like molecules. …”
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Calcium Activation of the Androgen Receptor in Prostate Cells by Zeina W. Sharawi, Sawsan M. Khatrawi, Qiaochu Wang, Hongzhao Zhou, Kedra Cyrus, Gai Yan, Becky Hoxter, Bassem R. Haddad, Mary Beth Martin

“…Our previous study shows that heavy metal cadmium activates the AR through a ligand-independent mechanism. Cadmium mimics calcium in biological systems due to their similar ionic charge and radius. …”
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Enhancement of Cytomegalovirus-Specific Cytokine Production after Modulation of the Costimulation in Kidney Transplant Patients by Theresa Dornieden, Benjamin Wilde, Johannes Korth, Kai Werner, Peter A. Horn, Oliver Witzke, Monika Lindemann

“…It could be shown that a blockade of the ligand PD-L1 resulted in an increased CMV-specific IFN-γ, IL-21, and IL-17A secretion. …”
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Scrutinizing the evidence of anthracene toxicity on adrenergic receptor beta-2 and its bioremediation by fungal manganese peroxidase via in silico approaches by Muhammad Naveed, Khadija Khatoon, Tariq Aziz, Rida Naveed, Muhammad Nouman Majeed, Maida Salah Ud Din, Tayyab Javed, Ayaz Ali Khan, Abdullah F. Alasmari

“…Molecular dynamics simulations using the OpenMM engine and AMBER force field confirmed stable enzyme-ligand complexes, highlighting the potential of manganese peroxidase for sustained enzymatic activity against anthracene.…”
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Efficient recovery of rare metal lanthanum from water by MOF-modified biochar: DFT calculation and dynamic adsorption by Qilan Huang, Qianru Zhang, Shuwen Zhao, Chuchen Zhang, Huixin Guan, Jianqiao Liu

“…According to DFT calculations, the primary processes involved in the adsorption of La3+ were π–π interaction and ligand exchange, wherein the surface hydroxyl group played a crucial role. …”
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Fluorescent Thiol-Derivatized Gold Clusters Embedded in Polymers by G. Carotenuto, S. De Nicola, L. Nicolais

“…Differently from the thiolate precursors, such cluster compounds show very intensive visible fluorescence characteristics that can be tuned by alloying the gold clusters with silver atoms or by conjugating the electronic structure of the metallic core with unsaturated electronic structures in the organic ligand through the sulphur atom. Here, the photoluminescence features of some examples of these systems are shortly described.…”
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NITRATO ADDUCTS AND DERIVATIVES: SYNTHESIS AND INFRARED STUDY by MOUHAMADOU BIRAME DIOP, LIBASSE DIOP

“…The suggested structures are discrete or of infinite chain type, the nitrate behaving as a bidentate or a monodentate ligand, the environment around the tin (IV) centres being octahedral or trigonal bipyramidal. …”
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PPAR-γ Agonists and Their Role in Primary Cicatricial Alopecia by Sarawin Harnchoowong, Poonkiat Suchonwanit

“…Peroxisome proliferator-activated receptor γ (PPAR-γ) is a ligand-activated nuclear receptor that regulates the transcription of various genes. …”
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Molecular Vibration-Activity Relationship in the Agonism of Adenosine Receptors by Hyun Keun Chee, S. June Oh

“…The molecular vibration-activity relationship in the receptor-ligand interaction of adenosine receptors was investigated by structure similarity, molecular vibration, and hierarchical clustering in a dataset of 46 ligands of adenosine receptors. …”
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Syntheses and Characterization of Some Tetradentate Schiff-Base Complexes and Their Heteroleptic Analogues by A. A. Osowole

“…VO(IV), Ni(II) and Cu(II) complexes of the asymmetric Schiff base [(HOC6H3(OCH3)C(C6H5):N(CH2CH2)N:C(CH3)CH:C(C6H5)OH)], and their heteroleptic analogues with triphenyl phosphine and 2,2’-bipyridine have been synthesized and characterized by elemental analyses, conductance, magnetic, infrared and electronic spectral measurements. The ligand is tetradentate coordinating via the imine N and enolic O atoms. …”
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Peculiarities of the Adsorption of Heavy-Metal Ions from Aqueous Media by Modified Cellulose by Tatiana E. Nikiforova, Vladimir A. Kozlov, Vera A. Loginova

“…Because of the charge transfer during metal–ligand interactions, coloured chelate complexes are formed. …”
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Effects of Zinc Binding on the Structure and Stability of Glycylglycine Dipeptide: A Computational Study by Mohammad T. Baei, S. Zahra Sayyad-Alangi

“…In this method, the most stable complex was zinc cation bound to the two oxygen sites of the glycylglycine zwitterion and acted as a bidentate ligand. The vibrational frequencies, thermodynamic and electronic properties, HOMO, LUMO, and energy gap for the most stable isomer in different solvents were calculated at the BLYP/6-311++G** level of theory.…”
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Phytocompounds from Indonesia Medicinal Herbs as Potential Apelin Receptor Agonist for Heart Failure Therapy: An In-silico Approach by Muhamad Rizqy Fadhillah, Wawaimuli Arozal, Muhammad Habiburrahman, Somasundaram Arumugam, Heri Wibowo, Suci Widya Primadhani, Aryo Tedjo, Surya Dwira, Nurul Gusti Khatimah

“…This study investigates bioactive phytochemicals from ten Indonesian medicinal herbs using computer-aided drug design (CADD) to predict ligand-receptor interactions via molecular docking and bioactivity prediction through machine learning. …”
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Robust proteome profiling of cysteine-reactive fragments using label-free chemoproteomics by George S. Biggs, Emma E. Cawood, Aini Vuorinen, William J. McCarthy, Harry Wilders, Ioannis G. Riziotis, Antonie J. van der Zouwen, Jonathan Pettinger, Luke Nightingale, Peiling Chen, Andrew J. Powell, David House, Simon J. Boulton, J. Mark Skehel, Katrin Rittinger, Jacob T. Bush

“…High-content screening approaches to expand the ligandable proteome offer the potential to expedite the discovery of novel chemical probes to study protein function. …”
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