Overcoming beta-lactam resistance in Pseudomonas aeruginosa by targeting metallo-beta-lactamase VIM-1: a one-microsecond molecular dynamics simulation study by Mohammed Salleh M. Ardawi, Samar A. Badreddine, Muhammad Yasir, Muhammad Yasir, Aiah M. Khateb, Aiah M. Khateb, Safaa A. Turkistani, Ahmed Afandi, Samah O. Noor, Adhari Alselmi, Adhari Alselmi, Vivek Dhar Dwivedi, Vivek Dhar Dwivedi, Esam I. Azhar, Esam I. Azhar

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A patient-derived HCC spheroid system to model the tumor microenvironment and treatment response by Emilie Crouchet, Nuno Almeida, Sarah C. Durand, Marie Parnot, Marine A. Oudot, Fabio Giannone, Cloé Gadenne, Natascha Roehlen, Antonio Saviano, Emanuele Felli, Patrick Pessaux, Hong Tuan Duong, Hideki Ohdan, Hiroshi Aikata, Kazuaki Chayama, Thomas F. Baumert, Catherine Schuster

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Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey by Taojie Kuang, Pengfei Liu, Zhixiang Ren

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Editorial: The blue frontier: cancer research meets the diversity of marine chemistry and biology, new challenges, and prospects by Daniel L. Pouliquen, Susana P. Gaudêncio, Susana P. Gaudêncio

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Integrating Model‐Informed Drug Development With AI: A Synergistic Approach to Accelerating Pharmaceutical Innovation by Karthik Raman, Rukmini Kumar, Cynthia J. Musante, Subha Madhavan

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Machine learning approaches for predicting protein-ligand binding sites from sequence data by Orhun Vural, Leon Jololian

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A strategy for selective screening of dual-target bioactive compounds against hypertrophic scar through inhibiting angiotensin II type 1 receptor while stimulating type 2 receptor... by Lejing Qu, Meizhi Jiao, Zilong Zhang, Yuanyuan Ou, Xue Zhao, Yajun Zhang, Xinfeng Zhao

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Structural bioinformatics for rational drug design by Soroush Mozaffari, Agnethe Moen, Che Yee Ng, Gerry A.F. Nicolaes, Kanin Wichapong

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Exploring therapeutic strategies for androgen-independent prostate cancer using a magnetic coculture platform by Anjani Chavali, Giles Fitzwilliams, Adam Germain, Sandra Khuon, Young-tae Kim

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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

Subjects: “…Computer-assisted drug discovery…”
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Improving drug repositioning with negative data labeling using large language models by Milan Picard, Mickael Leclercq, Antoine Bodein, Marie Pier Scott-Boyer, Olivier Perin, Arnaud Droit

Subjects: “…AI-driven drug discovery…”
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Non-enzymatic protein targeting agents as a promising strategy for cancer treatment by Madison Ambrose, Jeremy Lee, Aleem Syed, Zamal Ahmed, Guang Peng

“…Frontiers in Drug Discovery…”
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Optimizing ibrutinib bioavailability: Formulation and assessment of hydroxypropyl-β-cyclodextrin-based nanosponge delivery systems by Sunitha Sampathi, Nitiraj Kulkarni, D.V.R.N. Bhikshapathi, Jagadish V. Tawade, Nainaru Tarakaramu, Rzgar Farooq Rashid, Aziz Kubaev

“…Current Research in Pharmacology and Drug Discovery…”
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The suppression of the SPHK1/S1P/S1PR3 signaling pathway diminishes EGFR activation and increases the sensitivity of non-small cell lung cancer to gefitinib by Jing Zhang, Zequn Wang, Xihua Wei, Mengyuan Han, Ribai Yan, Lijie Ma, Yan Pan

“…Current Research in Pharmacology and Drug Discovery…”
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Recent Advances in Natural Products Derived from Marine Echinoderms and Endophytic Microbes: Chemical Insights and Therapeutic Potential by Shuangyu Li, Yan Xiao, Qiang Li, Mingzhi Su, Yuewei Guo, Xin Jin

“…It also outlines the prospects and challenges for future research, aiming to stimulate further exploration in marine drug discovery.…”
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Fatty Liver and Insulin Resistance in the Liver-Specific Knockout Mice of Mitogen Inducible Gene-6 by Byung Kil Park, Eun-Ah Lee, Hee-Youn Kim, Jun Choul Lee, Koon Soon Kim, Won Hoon Jeong, Ki Young Kim, Bon Jeong Ku, Sang Dal Rhee

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GB18-06, a nanobody targeting GDF15, effectively alleviates weight loss and restores physical function in cachexia models by Yu Huang, Jinyong Wang, Xiling Wei, Hui Zhang, Wei Shang, Xiangling Zhang, Lanjiao Zhai, Xi Chen, Huiming Li, Suofu Qin

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Discovery of Novel Caeridins from the Skin Secretion of the Australian White’s Tree Frog, Litoria caerulea by Lei Li, Qing Wu, Xi Wang, Huimin Lu, Xinping Xi, Mei Zhou, Chris J. Watson, Tianbao Chen, Lei Wang

“…The discovery of these Caeridins may induce further intensive and systematic studies of frog skin peptides to promote the discovery of natural templates as lead compounds for drug discovery and therapeutic application.…”
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Phytoconstituents of Hericium erinaceus Exert Benefits for ADHD Conditions by Targeting SLC6A4: Extraction, Spectroscopic Characterization, Phytochemical Screening, In Vitro, and C... by Kamalaharshini Mohan, Nandhakumar Ravichandran, Harish Rajendran, Jency Roshni, Mahema Sivakumar, Janakiraman Velayudam, Sheikh F. Ahmad, Haneen A. Al-Mazroua, Shiek SSJ Ahmed

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Bioactive Steroids with Structural Diversity from the South China Sea Soft Coral <i>Lobophytum</i> sp. and Sponge <i>Xestospongia</i> sp. by Lin-Mao Ke, Zi-Ru Zhang, Song-Wei Li, Yan-Bo Zeng, Ming-Zhi Su, Yue-Wei Guo

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