Binding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurements. by Enrico Defranchi, Claire Schalon, Mirko Messa, Franco Onofri, Fabio Benfenati, Didier Rognan

“…More generally, the data also demonstrate that cross-reactivity with various targets may be detected by systematic pair-wise similarity measurement of ligand-annotated binding sites.…”
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Synthesis, in vitro activity, and computational evaluation of novel Thiadiazole derivatives as potent urease inhibitors by Naseer Ahmed, Kamran Mehdi, Obaid-ur-Rehman Abid, Saqib Khan, Adi T. Zikri, Is Helianti

“…The NH proton of thiadiazoles was detected in the region of 10.10–10.28 ppm, confirming the synthesis by a distinctive 1H NMR signal. …”
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Hybrids of the bHLH and bZIP protein motifs display different DNA-binding activities in vivo vs. in vitro. by Hiu-Kwan Chow, Jing Xu, S Hesam Shahravan, Antonia T De Jong, Gang Chen, Jumi A Shin

“…In the yeast one-hybrid assay (Y1H), transcriptional activation from the E-box was strong by ArntbHLH-C/EBP, and undetectable for the truncated ArntbHLH (PAS removed), as detected via readout from the HIS3 and lacZ reporters. …”
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A multifaceted examination of the action of PDE4 inhibitor rolipram on MMP2/9 reveals therapeutic implications by Arka Bagchi, Analabha Roy, Anindya Halder, Arunima Biswas

“…Computational molecular docking also demonstrated significant binding affinities of rolipram for both MMP2 and MMP9 proteins. …”
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Variación heterocromática en Proechimys semispinosus (Rodentia: Echimyidae) de la región pacífica colombiana by Bueno Martha Lucía, Gómez Laverde Marcela

“…Thesimilarity between the heterochromatin pattem in the Gorgona island (Gómez-Laverde et al" 1990) and Nariño populations suggests a very close relation ship and supports the affinities ofthe island's biota with the southwestem region of Colombia and northem region of Ecuador previously reported in others biological groups.…”
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The Construction of ceRNA Regulatory Network Unraveled Prognostic Biomarkers and Repositioned Drug Candidates for the Management of Pancreatic Ductal Adenocarcinoma by Busra Aydin, Keziban Okutan, Ozge Onluturk Aydogan, Raghu Sinha, Beste Turanli

“…In addition to providing novel biomarkers for diagnosis that can be detected non-invasively, the secretion levels of hub genes-associated proteins were found in plasma, serum, and oral epithelium. …”
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Bio-Inspired Mamba for Antibody–Antigen Interaction Prediction by Xuan Liu, Haitao Fu, Yuqing Yang, Jian Zhang

“…Despite their appeals, precisely detecting binding sites (i.e., paratopes and epitopes) within the complex landscape of long-sequence biomolecules remains challenging. …”
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High-resolution Solar Image Registration Using Unsupervised Deep Learning by Hao Zhang, Bo Liang, Xiaoli Yan, Song Feng, Ding Yuan, Yunfang Cai, Wei Dai

“…In this study, we propose an unsupervised deep learning–based framework named hourGlass and haRdnEt (GRE) for accurate solar image registration. The method detects keypoints in both the reference and moving images, extracts local feature descriptors, performs bidirectional matching to establish reliable correspondences, and estimates affine transformation parameters to align the images. …”
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Exploring the bioactive compounds of Carica papaya leaves: phytol’s role in combatting antibiotic-resistant bacteria by Fahad Saad Alhodieb, Maira Farid, Maimoona Sabir, Sobia Nisa, Sumaira Sarwar, Sidra Abbas

“…GC-MC analysis identified 27 bioactive compounds, with phytol emerging as a prominent constituent, detected at a peak retention time of 18.712 minutes. …”
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A Pilot Study in Humans on the Urinary Tract Excretion of the FimH Inhibitor 1-Deoxymannose by Hiromi Hayashi, Naoto Miyazaki, Takuya Kawakami, Shusaku Izumi, Kazuhiro Yoshinaga

“…Consequently, multiple inhibitors—predominantly <span style="font-variant: small-caps;">D</span>-mannose derivatives—have been synthesized, and their binding affinities (determined by dissociation coefficient; K_D) to FimH have been examined in vitro. …”
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Agarwood leaf ethanol extract provides neuroprotective properties and promotes cholinergic differentiation of HT22 hippocampal neurons by Kishoree K. Kumaree, James M. Brimson, Kanika Verma, Siriporn Chuchawankul, Tewin Tencomnao, Anchalee Prasansuklab

“…Virtual screening revealed that several compounds in AWE exhibited strong binding affinities to receptors such as sigma-1, TrkB, Nogo-66, and p75NTR, providing insights into the potential mechanisms underlying its neuroprotective effects. …”
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Coenzyme Q10 protects keratinocytes against oxidation-induced energy stress as revealed by spatiotemporal analysis of cell energetics by Roland Abi Nahed, Ali Hussein, Cécile Cottet-Rousselle, Alexandra Vogelsang, Francesco Aulicino, Imre Berger, Thomas Blatt, Julia M. Weise, Uwe Schlattner

“…Engineered from the AMP-activated protein kinase (AMPK), this sensor leverages endogenous affinities of the kinase that evolved to detect energy stress, specifically decreases in ATP/ADP and ATP/AMP ratios that pose a threat to cell survival. …”
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Phytochemical Isolation and Antimicrobial, Thrombolytic, Anti-inflammatory, Analgesic, and Antidiarrheal Activities from the Shell of Commonly Available Blanco: Multifaceted Role... by Md. Jamal Hossain, Md. Abdus Samadd, Mst. Nusrat Zahan Urmi, Mst. Farzana Yeasmin Reshmi, Md. Shohel Hossen, Mohammad A. Rashid

“…The molecular docking studies corroborated the existing in vitro and in vivo findings by demonstrating better or comparable binding affinities toward the respective receptors and favorable pharmacokinetic properties and toxicological profiles. …”
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ANTIGENIC PROPERTIES OF ARTIFICIAL POLYEPITOPE HIV IMMUNOGEN by A. P. Rudometov, N. B. Andreeva, A. N. Chikaev, N. S. Shcherbakova, O. N. Kaplina, L. I. Karpenko

“…Virus-neutralizing activity of purified IgG was detected in neutralization test using recombinant virus HIV-1 92BR025. …”
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Allelic variation in a cluster of epsilon glutathione S-transferase genes contributes to DDT and pyrethroid resistance in the major African malaria vector Anopheles funestus by Mersimine F. M. Kouamo, Sulaiman S. Ibrahim, Abdullahi Muhammad, Mahamat Gadji, Jack Hearn, Charles S. Wondji

“…Cloning of cDNAs of GSTes from different regions of Africa detected allelic variants under selection, including A17D26T158-GSTe3, L135H191A189-GSTe4 in West/Central Africa, and T169S201 E210-GSTe6 present only in West/Southern Africa. …”
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Yinzhihuang Oral Liquid Alleviates Intrahepatic Cholestasis of Pregnancy: Integrated Bioinformatics and Experimental Mechanistic Insight by Ting Liu, Xinrun Zhuang, Wei Gu, Wei Liu, Jin Zhang, Weijian Zeng, Jue Li, Yang Pan

“…Molecular docking demonstrated strong binding affinities between several active compounds and the hub genes. …”
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A comparative study of the essential oil extracts of Centaurea alexanderina different parts: GC-MS analysis, antimicrobial, antioxidant, and anti-hyperglycemic activities by Hossam A. Abdallah, Naglaa Afifi, Enas I. A. Mohamed, Mohamed Sebak, Rabab Mohammed, Mohamed A. Zaki

“…The molecular docking study of detected metabolites in the most active essential oil extracts against human α-glucosidase enzyme (PDB: 5NN8) revealed moderate to high binding affinities (-4.6 to -7.3 kcal/mol for leaves and -4.4 to -7.9 kcal/mol for roots essential oil metabolites). …”
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