4-Aminoquinoline as a privileged scaffold for the design of leishmanicidal agents: structure–property relationships and key biological targets by Angel H. Romero, Francisco Delgado

“…With that information, we seek to give useful guidelines for interested researchers to face the drug discovery and development process for selective and potent leishmanicidal agents based on 4-aminoquinolines.…”
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Matched pairs demonstrate robustness against inter-assay variability by Jochem Nelen, Horacio Pérez-Sánchez, Hans De Winter, Dries Van Rompaey

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Combination of Enrichment Using Gene Ontology and Transcriptomic Analysis Revealed Contribution of Interferon Signaling to Severity of COVID-19 by Hilmi Farhan Ramadhani, Annisa Annisa, Aryo Tedjo, Dimas R. Noor, Wisnu Ananta Kusuma

“…These proteins can be a potential target either as biomarkers or targets in drug discovery. Therefore, we combined enrichment analysis of these proteins to identify biological knowledge related to hyperinflammation. …”
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RATIONAL DRUG DESIGN OF POTENT V600E-BRAF KINASE INHIBITORS THROUGH MOLECULAR DOCKING SIMULATION by Bello Abdullahi Umar, Adamu Uzairu, Gideion Adamu Shallangwa, Sani Uba

“…Thus; this study provides a valuable approach and new direction to novel drug discovery. There is hope in the future studies to include the synthesis and evaluation of these newly designed inhibitors which can establish them to be the most potent V600E-BRAF inhibitors and efficient ant-melanoma cancer drug. …”
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DVGEDR: a drug repositioning method based on dual-view fusion and graph enhancement mechanism in heterogeneous networks by Dongjiang Niu, Lianwei Zhang, Beiyi Zhang, Qiang Zhang, Shanyang Ding, Hai Wei, Zhen Li

“…Abstract Drug repositioning, the discovery of new therapeutic uses for existing drugs, is increasingly gaining attention as a cost-effective and high-yield drug discovery strategy. Existing methods integrate diverse biological information into heterogeneous networks, providing a comprehensive framework for understanding complex drug–disease associations, which also will introduces noise into the data and affect the performance of the model. …”
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Update on Remdesivir in the Treatment of Novel Coronavirus Pneumonia by Huang Feng, K. Vijaya Lakshmi, Chin Tat Ng, Murthy Sasikumar, Masita Arip, Masriana Hassan, Voon Kin Chin, Mogana Rajagopal, Omotayo Fatokun, N. Parvathi, Malarvili Selvaraja

“…The total confirmed COVID-19 cases globally as of now topped 620 million, while the total number of fatalities exceeded 6.6 million. The screening, drug discovery, and clinical development of novel treatments are still the hottest subjects in the treatment of COVID-19, and scientists throughout the world are dedicated to identifying prospective therapeutic agents to treat COVID-19 patients, including the new uses of old medications. …”
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Design and fabrication of novel microfluidic-based droplets for drug screening on a chronic myeloid leukemia cell line. by Niloofar Jaafari, Amir Asri Kojabad, Rima Manafi Shabestari, Majid Safa

“…This approach is promising for drug discovery and treatment optimization, as it increases sensitivity and streamlines the screening process.…”
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Resistin Activates p65 Pathway and Reduces Glycogen Content through Keratin 8 by Fengyun Wen, Qiao Xia, Hui Zhang, Haipeng Shia, Amin Rajesh, Yanling Wu, Yi Yang, Zaiqing Yang

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Metabolic stability and its role in the discovery of new chemical entities by Słoczyńska Karolina, Gunia-Krzyżak Agnieszka, Koczurkiewicz Paulina, Wójcik-Pszczoła Katarzyna, Żelaszczyk Dorota, Popiół Justyna, Pękala Elżbieta

“…Determination of metabolic profiles of new chemical entities is a key step in the process of drug discovery, since it influences pharmacokinetic characteristics of therapeutic compounds. …”
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Understanding integrative approach of translational bioinformatics on cardiovascular disease: Myocardial Ischemia by Yeswanth Ranganathan, Saayaa Nazar, Ravi Shankar Krishnan, Yuvaraj Dinakarkumar, Vijayalakshmi Varadarajan, Lenita Sebastian, Brindha Rethinam

“…The study highlights the impact of personalized medicine, drug discovery, and repurposing through bioinformatics. …”
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Synthesis and Experimental Validation of New Designed Heterocyclic Compounds with Antiproliferative Activity versus Breast Cancer Cell Lines MCF-7 and MDA-MB-231 by Vincenza Barresi, Carmela Bonaccorso, Domenico A. Cristaldi, Maria N. Modica, Nicolò Musso, Valeria Pittalà, Loredana Salerno, Cosimo G. Fortuna

“…Recent drug discovery efforts are highly focused towards identification, design, and synthesis of small molecules as anticancer agents. …”
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Isolation, Characterization, and Molecular Modeling of a Rheumatoid Factor from a Hepatitis C Virus Infected Patient with Sjögren’s Syndrome by Yu-Ching Lee, Keng-Chang Tsai, Sy-Jye Leu, Tuan-Jen Wang, Chia-Yu Liu, Yi-Yuan Yang

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The Impact of the Coexpression of MET and ESR Genes on Prognosticators and Clinical Outcomes of Breast Cancer: An Analysis for the METABRIC Dataset by Nehad M. Ayoub, Ghaith M. Al-Taani, Amer E. Alkhalifa, Dalia R. Ibrahim, Aymen Shatnawi

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Repurposing of Drugs for Antibacterial Activities on Selected ESKAPE Bacteria Staphylococcus aureus and Pseudomonas aeruginosa by Bridget Kamurai, Molly Mombeshora, Stanley Mukanganyama

“…Repurposing of old drugs for the treatment of antimicrobial resistant pathogens has been explored as an alternative strategy in the field of antimicrobial drug discovery. Ten non-antimicrobial compounds were screened for antibacterial activity on two ESKAPE organisms, Staphylococcus aureus and Pseudomonas aeruginosa. …”
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Exploring target selectivity in designing and identifying PI3Kα inhibitors for triple negative breast cancer with fragment-based and bioisosteric replacement approach by Debojyoti Halder, Shreya Mukherjee, R. S. Jeyaprakash

“…After extensive literature analysis, it was observed that fragment-based drug discovery, combined with structure-based virtual screening and bioisosteric replacement strategy, could provide a novel way for hit-to-lead optimization. …”
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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

“…This study illustrates how computational techniques, such as MD simulations and pharmacophore modeling, can speed up drug discovery, especially in the fight against antibiotic resistance.…”
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High-Yield Generation of Glucose-Responsive Pseudoislets From Murine Insulinoma Cells for Studies and Longitudinal Monitoring of Graft Survival by Grisell C. Gonzalez, Chris M. Li, Ilaria Pasolini, Sophia I. Pete, Connor Verheyen, Sofia M. Vignolo, Teresa De Toni, Aaron A. Stock, Alice A. Tomei

“…Overall, this platform provides an accessible protocol for generating high yields of 3D pseudoislets and non-invasive longitudinal monitoring of graft survival in different models offer advantages over primary islets for optimization and mechanistic studies of β cell biology, drug discovery, T1D pathogenesis and prevention, and β cell transplantation.…”
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Proteomic Characterization of Liver Cancer Cells Treated with Clinical Targeted Drugs for Hepatocellular Carcinoma by Hezhou Long, Jiafu Zhou, Changxia Zhou, Shuyu Xie, Jingling Wang, Minjia Tan, Junyu Xu

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Transforming precision medicine: The potential of the clinical artificial intelligent single‐cell framework by Christian Baumgartner, Dagmar Brislinger

“…Future applications of caiSC could include digital cell twins, offering in‐depth simulations of cellular behavior to support drug discovery and personalized treatments. Regulatory considerations are discussed, underscoring the need for SaMD/AIaMD certifications for clinical use. …”
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Quantitation of Phenolic Compounds Related to Antioxidant and Antiosteoporosis Activities in Ripe and Unripe Maesil (Prunus mume) by Chong Woon Cho, Young Sik Park, Xi-Tao Yan, Hyun June Kim, Young Ho Kim, Kyung Tae Kim, Chu Van Men, Jong Seong Kang

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