Molecular dynamics simulation based prediction of T-cell epitopes for the production of effector molecules for liver cancer immunotherapy. by Sidra Zafar, Yuhe Bai, Syed Aun Muhammad, Jinlei Guo, Haris Khurram, Saba Zafar, Iraj Muqaddas, Rehan Sadiq Shaikh, Baogang Bai

“…We observed the substantial physicochemical properties of these epitopes with a significant binding affinity with MHC molecules. A polyvalent construct of these epitopes was designed using suitable linkers and adjuvant indicated significant binding energy (>-10.5 kcal/mol) with MHC class-I and II molecule. …”
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Molecular Dynamics Simulations of CO2 Molecules in ZIF-11 Using Refined AMBER Force Field by W. Wongsinlatam, T. Remsungnen

“…The site-site radial distribution functions and the molecular distribution plots simulations indicate that all hydrogen atoms are favored binding site of CO2 molecules. One slight but notable difference is that CO2 molecules are mostly located around and closer to hydrogen atom of imidazolate ring in SIM II than those found in SIM I. …”
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Desmosomal Molecules In and Out of Adhering Junctions: Normal and Diseased States of Epidermal, Cardiac and Mesenchymally Derived Cells by Sebastian Pieperhoff, Mareike Barth, Steffen Rickelt, Werner W. Franke

“…In addition, however, a series of other junction types has been identified and characterized which contain desmosomal molecules but do not fit the definition of desmosomes. …”
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Targeting MAO-B with Small-Molecule Inhibitors: A Decade of Advances in Anticancer Research (2012–2024) by Iyman Alsaad, Diana M. A. Abdel Rahman, Ola Al-Tamimi, Shayma’a A. Alhaj, Dima A. Sabbah, Rima Hajjo, Sanaa K. Bardaweel

“…Molecules…”
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Four-color single-molecule imaging system for tracking GPCR dynamics with fluorescent HiBiT peptide by Toshiki Yoda, Yasushi Sako, Asuka Inoue, Masataka Yanagawa

Subjects: “…single-molecule biophysics…”
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Les bactéries des sources hydrothermales profondes a l’origine de nouvelles molécules bioactives ? by Jean Guezennec

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Characterization of the Interaction of a Novel Anticancer Molecule with PMMA, PCL, and PLGA Polymers via Computational Chemistry by Edwar D. Montenegro, Jamylle M. Nunes, Igor F. S. Ramos, Renata G. Almeida, Eufrânio N. da Silva Júnior, Márcia S. Rizzo, Edson C. da Silva-Filho, Alessandra B. Ribeiro, Heurison S. Silva, Marcília P. Costa

“…Computational approaches optimize the process by studying molecules such as naphthoquinones. This research explores the quantitative structure–activity relationship (QSPR) and molecular interactions among 2,2-dimethyl-3-((3-nitrophenyl)amino)-2,3-dihydronaphtho[1,2-<i>b</i>]furan-4,5-dione (QPhNO₂), a Nor-β-Lapachone derivative with anticancer properties, and the following polymers for nanoencapsulation: polymethyl methacrylate (PMMA), polycaprolactone (PCL), and poly-lactic-co-glycolic acid (PLGA). …”
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Efficient and Explainable Virtual Screening of Molecules through Fingerprint-Generating Networks Integrated with Artificial Neural Networks by Rivaaj Monsia, Sudeep Bhattacharyya

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Strongly absorbing molecules make tissue transparent: a new insight for understanding tissue optical clearing by Tingting Yu, Dan Zhu

“…The research group from Stanford University has reported a counterintuitive observation that strongly absorbing molecules could achieve optical transparency in live animals, providing a new insight for understanding tissue optical clearing. …”
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Comparison of Renal Tubular Damage with Kidney Injury Molecule-1 in Open and Laparoscopic Colorectal Cancer Surgery by Abdullah Gürhan Duyan, Celalettin Vatansev, Rahim Kocabaş, Melek Yalçın Koç, Muhammed Ali Akbulut

Subjects: “…kidney injury molecule-1…”
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Unlocking nature’s pharmacy: an in-depth exploration of phytochemicals as potential sources of anti-cancer and anti-inflammatory molecules by Shifana C. Sadiq, Maria Pellissery Joy, Sreekumar U. Aiswarya, Abhishek Ajmani, Chenicheri K. Keerthana, Tennyson P. Rayginia, Noah Isakov, Ruby John Anto

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Nanopore sequencing of protozoa: Decoding biological information on a string of biochemical molecules into human-readable signals by Branden Hunter, Timothy Cromwell, Hyunjin Shim

“…Biological information is encoded in a sequence of biochemical molecules such as nucleic acids and amino acids, and nanopore sequencing is a long-read sequencing technology capable of directly decoding these molecules into human-readable signals. …”
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Dual Biologic or Small Molecule Therapy in Pediatric Inflammatory Bowel Disease: A Single Center Experience by Cheng Guo, Jin Zhou, Guoli Wang, Jie Wu

“…The purpose of this study was to evaluate the efficacy and safety of dual biologic therapy or biologics combined with small molecule drugs in refractory PIBD patients in China. …”
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Small molecules targeting the eubacterial β-sliding clamp discovered by combined in silico and in vitro screening approaches by Alessia Caputo, Gian Marco Elisi, Elisabetta Levati, Giulia Barotti, Sara Sartini, Jerome Wagner, Dominique Y. Burnouf, Simone Ottonello, Silvia Rivara, Barbara Montanini

“…Through pharmacophore-based virtual screening, we identified 4,000 candidate small molecule inhibitors targeting the β-clamp binding pocket. …”
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Experimental study on the simultaneous effect of smart water and clay particles on the stability of asphaltene molecule and emulsion phase by Mina Sadat Mahdavi, Amir Hossein Saeedi Dehaghani

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489 Nasal-derived Extracellular Vesicles (EVs) carry a cargo of antiviral and immunomodulatory molecules – CORRIGENDUM by Tiziana Corsello, Teodora Ivanciuc, Yue Qu, Antonella Casola, Roberto P Garofalo

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Design and Synthesis of Small Molecules Based on a Substructural Analysis of the Histone Deacetylase Inhibitors TSA and SAHA by Lynda Ekou, Tchirioua Ekou, Javier Garcia, Isabelle Opalinski, Jean Pierre Gesson

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Recent advances in small molecule LpxC inhibitors against gram-negative bacteria (2014–2024) by Pengpeng Ji, Meng Ma, Xiaoyue Geng, Jian Zhang

“…Since the first report of the arazoline LpxC inhibitor L-573, 655, a large number of small molecule LpxC inhibitors against Gram-negative bacteria have been synthesized and tested, such as TU-514, CHIR-090, ACHN-975 and TP0586532. …”
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Differences in the intrahepatic expression of immune checkpoint molecules on T cells and natural killer cells in chronic HBV patients by Lucile Dumolard, Marie-Noelle Hilleret, Marie-Noelle Hilleret, Charlotte Costentin, Charlotte Costentin, Marion Mercey-Ressejac, Marion Mercey-Ressejac, Nathalie Sturm, Nathalie Sturm, Theophile Gerster, Thomas Decaens, Thomas Decaens, Evelyne Jouvin-Marche, Patrice N. Marche, Zuzana Macek Jilkova, Zuzana Macek Jilkova

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Schistosome-Derived Molecules as Modulating Actors of the Immune System and Promising Candidates to Treat Autoimmune and Inflammatory Diseases by Luis Janssen, Gisele Lorranna Silva Santos, Herick Sampaio Muller, Anderson Rodrigues Araújo Vieira, Tatiana Amabile de Campos, Vicente de Paulo Martins

“…We believe that schistosomes can be used as a model to understand the potential applications of helminths and helminth-derived molecules against autoimmune and inflammatory diseases.…”
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