Targets and Candidate Agents for Type 2 Diabetes Treatment with Computational Bioinformatics Approach by Qiong Wang, Zhigang Zhao, Jing Shang, Wei Xia

“…Moreover, a group of bioactive small molecules were identified based on the connectivity map database. …”
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Pharmacophore-based approach for the identification of prospective UDP-2,3-diacylglucosamine hydrolase (LpxH) inhibitor from natural product database against Salmonella Typhi by Divyapriya Karthikeyan, Sanjit Kumar, NS Jayaprakash

“…A natural compound library of 852,445 molecules was screened against a pharmacophore model developed from known LpxH inhibitors. …”
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Adsorption of Acid Yellow 36 and direct blue 86 dyes to Delonix regia biochar-sulphur by Ahmed Eleryan, Uyiosa Osagie Aigbe, Kingsley Eghonghon Ukhurebor, Mohamed A. Hassaan, Safaa Ragab, Otolorin Adelaja Osibote, Ismail Hossain, Ahmed El Nemr

“…The Langmuir model (LGM) and pseudo-second-order-model (PSOM) best describe the biosorption of both dye molecules to the biosorbent owing to the equal and homogeneous spread of the dye molecules over the biosorbent porous surface and a chemisorption process which involved the valency force through the exchange of electrons between the dye molecules and the prepared biosorbent. …”
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Effect of Gold Dispersion on the Photocatalytic Activity of Mesoporous Titania for the Vapor-Phase Oxidation of Acetone by S. V. Awate, A. A. Belhekar, S. V. Bhagwat, R. Kumar, N. M. Gupta

“…In situ IR spectroscopy revealed that titania and gold particles serve as independent adsorption and reaction sites for acetone and oxygen molecules. Acetone molecules adsorb exclusively at TiO2 surface, giving rise to a strongly adsorbed (condensed) state as well as to the formation of formate- and methyl formate-type surface species. …”
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HPV16 <em>E6</em> Oncogene Contributes to Cancer Immune Evasion by Regulating PD-L1 Expression through a miR-143/HIF-1a Pathway by Georgios Konstantopoulos, Danai Leventakou, Despoina-Rozi Saltiel, Efthalia Zervoudi, Eirini Logotheti, Spyros Pettas, Korina Karagianni, Angeliki Daiou, Konstantinos E. Hatzistergos, Dimitra Dafou, Minas Arsenakis, Amanda Psyrri, Christine Kottaridi

“…The molecules studied are the T-cell inactivating protein PD-L1, its transcription factor HIF-1a and the latter’s negative regulator, miR-143. …”
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Targeting EGFR-binding protein SLC7A11 enhancing antitumor immunity of T cells via inducing MHC-I antigen presentation in nasopharyngeal carcinoma by Haihua Wang, Songqing Fan, Yuting Zhan, Yue Xu, Yao Du, Jiadi Luo, Hongjing Zang, Shuping Peng, Weiyuan Wang

“…The underlying molecular processes revealed that the high and stable expression of SLC7A11 hindered the nuclear entry of GR, thereby suppressing TAP1 transcription and the presentation of MHC-I molecules. Additionally, elevated SLC7A11 expression led to an increase in FAF2 expression and triggered ERAD-dependent degradation of MHC-I, resulting in a reduction of MHC-I molecules on the cell membrane. …”
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One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening by James Wellnitz, Sankalp Jain, Joshua E. Hochuli, Travis Maxfield, Eugene N. Muratov, Alexander Tropsha, Alexey V. Zakharov

“…Importantly, hit rates were estimated for top scoring compounds organized in batches of the size of plates (for instance, 128 molecules) used in the experimental high throughput screening. …”
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Multidrug efflux pumps of Pseudomonas aeruginosa show selectivity for their natural substrates by Léna Mazza, Léna Mazza, Alexandre Bory, Alexandre Bory, Alexandre Luscher, Alexandre Luscher, Joachim Kloehn, Jean-Luc Wolfender, Jean-Luc Wolfender, Christian van Delden, Christian van Delden, Thilo Köhler, Thilo Köhler

“…We identified by-products of secondary metabolites as well as signaling molecules. Supernatants of the pump-deficient mutant also showed decreased accumulation of fatty acids, including long chain homoserine lactone quorum sensing molecules. …”
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Sweet Taste Receptor Signaling Network: Possible Implication for Cognitive Functioning by Menizibeya O. Welcome, Nikos E. Mastorakis, Vladimir A. Pereverzev

“…Sweet taste receptors are transmembrane protein network specialized in the transmission of information from special “sweet” molecules into the intracellular domain. These receptors can sense the taste of a range of molecules and transmit the information downstream to several acceptors, modulate cell specific functions and metabolism, and mediate cell-to-cell coupling through paracrine mechanism. …”
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Approved antibacterial drugs in the last 10 years: from the bench to the clinic by Miguel García-Castro, Francisco Sarabia, Amelia Díaz-Morilla, Juan Manuel López-Romero

“…A focus will be made on studies describing the structure and activity of the organic molecules and their interactions with their respective biological targets.…”
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Oral S2-Ag85 DNA Vaccine Activated Intestinal Cell dsDNA and RNA Sensors to Promote the Presentation of Intestinal Antigen by Dang Sheng, Sui Xin, Wu Dongxing, Wen Shubo, Song Yang, Chen Zeliang, Zhai Jingbo

“…The molecular mechanisms of in vitro detection sensor molecules RIG-1, Pol III, and related conductor transductor molecules DAI, STING, AIM2, IRF3, and IRF7 were determined by separating intestinal IEC, DC, and IELC cells. …”
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Dengue infection changes the expressions of CD154 and CD148 in human platelets by Sayali Vedpathak, Sonali Palkar, AkhileshChandra Mishra, Vidya A Arankalle, Shubham Shrivastava

“…In this study, we aimed to examine the expression levels of three molecules, CD151, CD154, and CD148 on platelets in dengue patients. …”
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Control of atropoisomerism: an access to valuable compounds by Choppin, Sabine, Wencel-Delord, Joanna, Colobert, Françoise

“…It is also important to note that almost 30% of recent FDA-approved small molecules are “proatropisomeric” and interact with a target in a specific chiral conformation.Given this vivid interest in C–C but also C–N atropisomerically stable compounds, this account will detail the new atropoisomeric strategies we developed and their applications in the synthesis of relevant molecules and ligands.…”
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Chladni and Fractal Dynamics: Dual Mode Marker to Map Cancer Cell Nucleus Disintegration Phases by Parama Dey, Anup Singhania, Ajaikumar B. Kunnumakkara, Subrata Ghosh, Anirban Bandyopadhyay

“…Conventional cancer drugs are small molecules that target specific pathways. We introduced PCMS, a 26 kDa supramolecule combining sensors (S), molecular motors (M), and switching molecules (C), integrated within a fourth-generation PAMAM structure (P). …”
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Immunohistochemical investigation of the role of ubiquitin and 8-hydroxyguanosine in pathogenesis of cattle leptospirosis by Musa Karaman, Hasan Özen, Serpil Dağ Erginsoy, Mitat Şahin

“…<p> <b>Material and Method:</b> Localization of these molecules was determined by indirect immunoperoxydase method using specific polyclonal antibodies in Leptospira positive (n=7) and healthy control animals (n=7).…”
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Direct Analysis of Pharmaceutical Drugs Using Nano-DESI MS by Carlos Cardoso-Palacios, Ingela Lanekoff

“…Nano-DESI is an ambient surface sampling technique which enables sampling of molecules directly from the surface of the tablets without any sample pretreatment. …”
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Imaging Molecular Expression on Vascular Endothelial Cells by In Vivo Immunofluorescence Microscopy by Judith M. Runnels, Parisa Zamiri, Joel A. Spencer, Isreal Veilleux, Xunbin Wei, Alexei Bogdanov, Charles P. Lin

“…Live imaging is particularly useful for following the dynamic expression of inducible molecules such as E-selectin during an inflammatory response.…”
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The Role of Mitochondrial Damage-Associated Molecular Patterns in Chronic Neuroinflammation by Ekta Bajwa, Caitlin B. Pointer, Andis Klegeris

“…Mitochondrial dysfunction has been established as a common feature of neurodegenerative disorders that contributes to disease pathology by causing impaired cellular energy production. Mitochondrial molecules released into the extracellular space following neuronal damage or death may also play a role in these diseases by acting as signaling molecules called damage-associated molecular patterns (DAMPs). …”
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Toll-Like Receptors in Natural Killer Cells and Their Application for Immunotherapy by Ji-Yoon Noh, Suk Ran Yoon, Tae-Don Kim, Inpyo Choi, Haiyoung Jung

“…They recognize pathogen-associated molecular patterns (PAMPs) and trigger innate immune responses by inducing inflammatory cytokines, chemokines, antigen-presenting molecules, and costimulatory molecules. TLRs are expressed either on the cell surface or within endosomes of innate immune cells. …”
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Underlying Mechanisms of Chromatographic H/D, H/F, <i>cis/trans</i> and Isomerism Effects in GC-MS by Dimitrios Tsikas

“…Charge-free gaseous molecules labeled with deuterium ²H (D) atoms elute earlier than their protium-analogs ¹H (H) from most stationary GC phases. …”
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