Works matching DE "DRUG discovery"

Results: 5000

Introduction to Nonclinical Biopharmaceutical Statistics Tutorials—A Special Issue.

Published in:

Pharmaceutical Statistics, 2025, v. 24, n. 4, p. 1, doi. 10.1002/pst.70018

By:

Novick, Steven;
Pickering, Eve

Publication type:

Article

A perspective for adapting generalist AI to specialized medical AI applications and their challenges.

Published in:

NPJ Digital Medicine, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s41746-025-01789-7

By:

Wang, Zifeng;
Wang, Hanyin;
Danek, Benjamin;
Li, Ying;
Mack, Christina;
Arbuckle, Luk;
Biswal, Devyani;
Poon, Hoifung;
Wang, Yajuan;
Rajpurkar, Pranav;
Xiao, Cao;
Sun, Jimeng

Publication type:

Article

Identifying potential drugs for treating Cardiovascular-kidney metabolic syndrome via reverse network pharmacology.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1627236

By:

Wen, Si'ao;
Fu, Ao'ni;
Liu, Fen;
You, Yayu;
Li, Linkai;
Xiao, Wen;
Zhong, Haoran;
Hong, Xiuqin;
Zhong, Xin;
Hu, Yongjun;
Liu, Zhengyu

Publication type:

Article

ColdstartCPI: Induced-fit theory-guided DTI predictive model with improved generalization performance.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-61745-7

By:

Zhao, Qichang;
Zhao, Haochen;
Guo, Linyuan;
Zheng, Kai;
Li, Yajie;
Ling, Qiao;
Tang, Jing;
Li, Yaohang;
Wang, Jianxin

Publication type:

Article

Divergent Construction of Cyclobutane‐Fused Pentacyclic Scaffolds via Double Dearomative Photocycloaddition.

Published in:

Angewandte Chemie, 2025, v. 137, n. 29, p. 1, doi. 10.1002/ange.202505906

By:

Song, Ting‐Ting;
Lin, Fan;
Xu, Shan‐Tong;
Zhou, Bo‐Chao;
Zhang, Li‐Ming;
Guo, Shi‐Yu;
Zhang, Xinglong;
Chen, Qing‐An

Publication type:

Article

Mitigating Molecular Aggregation in Drug Discovery With Predictive Insights From Explainable AI.

Published in:

Angewandte Chemie, 2025, v. 137, n. 29, p. 1, doi. 10.1002/ange.202503259

By:

Sturm, Hunter;
Teufel, Jonas;
Isfeld, Kaitlin A.;
Friederich, Pascal;
Davis, Rebecca L.

Publication type:

Article

Out of distribution learning in bioinformatics: advancements and challenges Open Access.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 3, p. 1, doi. 10.1093/bib/bbaf294

By:

Shi, Yu;
Xu, Wei;
Hu, Pingzhao

Publication type:

Article

Rag2Mol: structure-based drug design based on retrieval augmented generation Open Access.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 3, p. 1, doi. 10.1093/bib/bbaf265

By:

Zhang, Peidong;
Peng, Xingang;
Han, Rong;
Chen, Ting;
Ma, Jianzhu

Publication type:

Article

RPSubAlign: a novel sequence-based molecular representation method for retrosynthesis prediction with improved validity and robustness Open Access.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 3, p. 1, doi. 10.1093/bib/bbaf257

By:

Hu, Yuting;
Hu, Feng;
Zhang, Hongwen;
Xu, Hongling;
Gao, Jixiang;
Deng, Wenshuai;
Tian, Zijing;
Hu, Qiaoyu;
Li, Honglin;
Diao, Yanyan

Publication type:

Article

Advances and critical aspects in cancer treatment development using digital twins Open Access.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 3, p. 1, doi. 10.1093/bib/bbaf237

By:

Bouriga, Rym;
Bailleux, Caroline;
Gal, Jocelyn;
Chamorey, Emmanuel;
Mograbi, Baharia;
Hannoun-Levi, Jean-Michel;
Milano, Gerard

Publication type:

Article

Advancing promiscuous aggregating inhibitor analysis with intelligent machine learning classification Open Access.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 3, p. 1, doi. 10.1093/bib/bbaf205

By:

Wang, Luxuan;
Ji, Beihong;
Zhai, Jingchen;
Wang, Junmei

Publication type:

Article

Predicting the structures of cyclic peptides containing unnatural amino acids by HighFold2 Open Access.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 3, p. 1, doi. 10.1093/bib/bbaf202

By:

Zhu, Cheng;
Cao, Sen;
Shang, Tianfeng;
Guo, Jingjing;
Su, An;
Li, Chengxi;
Duan, Hongliang

Publication type:

Article

High-Fat Diet-Induced Diabetic Cardiomyopathy in Female Zebrafish: Cardiac Pathology and Functional Decline Mediated by Type 2 Diabetes.

Published in:

Nutrients, 2025, v. 18, n. 13, p. 2209, doi. 10.3390/nu17132209

By:

Huang, Shuaiwang;
Chen, Zhanglin;
Li, Haoming;
Zou, Yunyi;
Wang, Bihan;
Zhao, Wenjun;
Zheng, Lan;
Zhou, Zuoqiong;
Peng, Xiyang;
Tang, Changfa

Publication type:

Article

Strategies Used for the Discovery of New Microbial Metabolites with Antibiotic Activity.

Published in:

Molecules, 2025, v. 30, n. 13, p. 2868, doi. 10.3390/molecules30132868

By:

Dasí-Delgado, Pablo;
Andreu, Cecilia;
del Olmo, Marcel·lí

Publication type:

Article

Identification and Characterization of Novel Inhibitors of Human Poly(ADP-Ribose) Polymerase-1.

Published in:

Molecules, 2025, v. 30, n. 13, p. 2728, doi. 10.3390/molecules30132728

By:

Morgan, Ibrahim;
Rennert, Robert;
Berger, Robert;
Hassanin, Ahmed;
Davari, Mehdi D.;
Eisenschmidt-Bönn, Daniela;
Wessjohann, Ludger A.

Publication type:

Article

Transcription Factors and Methods for the Pharmacological Correction of Their Activity.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 13, p. 6394, doi. 10.3390/ijms26136394

By:

Guryanova, Svetlana V.;
Maksimova, Tatiana V.;
Azova, Madina M.

Publication type:

Article

Quantum Mechanics in Drug Discovery: A Comprehensive Review of Methods, Applications, and Future Directions.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 13, p. 6325, doi. 10.3390/ijms26136325

By:

Niazi, Sarfaraz K.

Publication type:

Article

Deep Generative Models for the Discovery of Antiviral Peptides Targeting Dengue Virus: A Systematic Review.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 13, p. 6159, doi. 10.3390/ijms26136159

By:

Duy, Huynh Anh;
Srisongkram, Tarapong

Publication type:

Article

Beyond the Limits: How Is Spectral Flow Cytometry Reshaping the Clinical Landscape and What Is Coming Next?

Published in:

Cells (2073-4409), 2025, v. 14, n. 13, p. 997, doi. 10.3390/cells14130997

By:

Czechowska, Kamila;
Bonilla, Diana L.;
Cotty, Adam;
Dankar, Amay;
Mead, Paul E.;
Nash, Veronica

Publication type:

Article

Uncovering the molecular targets of phytocannabinoids: mechanistic insights from inverse molecular docking fingerprint approaches.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1611461

By:

Ravnik, Vid;
Jukič, Marko;
Furlan, Veronika;
Maver, Uroš;
Rožanc, Jan;
Bren, Urban

Publication type:

Article

Drug Repurposing for Rare (Orphan) Diseases—Scope and Limitations.

Published in:

Apollo Medicine, 2025, v. 22, n. 4, p. 329, doi. 10.1177/09760016241287308

By:

Kumar, Dhavendra

Publication type:

Article

In reply to Letter to the Editor from Paudel: Comment on "Changes in iPSC-Astrocyte Morphology Reflect Alzheimer's Disease Patient Clinical Markers" Open Access.

Published in:

Stem Cells, 2025, v. 43, n. 7, p. 1, doi. 10.1093/stmcls/sxaf031

By:

Buckley, Noel J;
Rowland, Helen A

Publication type:

Article

Spotlighting rising researcher Mikaela Gray: one ingredient intracellular delivery of RNA by hydrophobic ion pairing.

Published in:

AAPS Open, 2025, v. 11, n. 1, p. 1, doi. 10.1186/s41120-025-00118-2

By:

Gray, Mikaela A.

Publication type:

Article

Unveiling the Diversity of Culturable Microbes from the Underexplored Mingyong Glacier Landscape: A Roadmap for Leveraging the Potential of Actinomycetota.

Published in:

Indian Journal of Microbiology, 2025, v. 65, n. 2, p. 749, doi. 10.1007/s12088-025-01449-0

By:

Saravana Kumar, Pachaiyappan;
Xiang, Changjun;
Zhang, Lihan

Publication type:

Article

Pueraria thomsonii Benth-Associated Endophytes: A Multifaceted Exploration of Its Bioactive Molecules.

Published in:

Indian Journal of Microbiology, 2025, v. 65, n. 2, p. 680, doi. 10.1007/s12088-024-01368-6

By:

Li, Yu;
Liu, Yu;
Ran, Yalan;
Peng, Shiqin;
Yuan, Xiaoman;
Zhao, Lingyun;
Sun, Huiru;
Su, Fulian;
Huang, Donghai;
Pachaiyappan, Saravana Kumar;
He, Meijun

Publication type:

Article

Antibacterial Activity, Phytochemical Analysis of C. coggygria Leaf Extracts Against S. typhi, and Computational Studies to Screen Potential Drug Candidates.

Published in:

Indian Journal of Microbiology, 2025, v. 65, n. 2, p. 928, doi. 10.1007/s12088-024-01283-w

By:

Negi, Ankit;
Pant, Pooja;
Mathpal, Shalini;
Tewari, Disha;
Upadhyay, Santosh Kumar;
Chandra, Subhash;
Kumar, Rishendra

Publication type:

Article

i-DENV: development of QSAR based regression models for predicting inhibitors targeting non-structural (NS) proteins of dengue virus.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1605722

By:

Gautam, Sakshi;
Thakur, Anamika;
Kumar, Manoj

Publication type:

Article

Exploring the Therapeutic Potential of Antiaris africana: Targeting Cyclin-Dependent Kinases 8 and 13 for Cancer Treatment through Molecular Docking Studies.

Published in:

Al-Mustansiriyah Journal of Science, 2025, v. 36, n. 2, p. 41, doi. 10.23851/mjs.v36i2.1679

By:

Alabi, Mutiu A.;
Oladoye, Elizabeth O.;
Adedokun, Taofeeq A.;
Adebiyi, Adelowo A.;
Olatoye, Raphael S.;
Ajani, Beloved K.;
Ibrahim, Damasuno S.;
Olayiwola, Halimah;
Enobiomanor, Racheal I.;
Ajani, Emmanuel O.

Publication type:

Article

Investigating the Application of Quantum Machine Learning in Breast Cancer: A Systematic Review.

Published in:

Archives of Breast Cancer, 2025, v. 12, n. 2, p. 130, doi. 10.32768/abc.2025122130-142

By:

Kaveh, Shahrzad;
Arezi, Elahe;
Khedri, Zahra;
Sohrabei, Solmaz

Publication type:

Article

The Evolution of Pharmaceutical Solids: From Early Polymorphism to Cutting-Edge Drug Development.

Published in:

Croatica Chemica Acta, 2025, v. 97, n. 4, p. 243, doi. 10.5562/cca4154

By:

Danilovski, Aleksandar;
Meštrović, Ernest

Publication type:

Article

Unveiling the anticancer potential of Curcuma amada rhizome extract against prostate cancer through computational and experimental approaches.

Published in:

Scientific Reports, 2025, v. 15, n. 1, p. 1, doi. 10.1038/s41598-025-10761-0

By:

Priyadarshini, Arpita;
Mohanty, Debajani;
Mohanty, Swagat;
Kerry, Rout George;
Sahoo, Ambika;
Dash, Biswabhusan;
Panda, Pratap Chandra;
Nayak, Sanghamitra;
Ray, Asit;
Jena, Sudipta

Publication type:

Article

Recent Trends in Top-Down Technologies for the Preparation of Nanosuspensions.

Published in:

Indian Journal of Pharmaceutical Education & Research, 2025, v. 59, n. 2, p. 493, doi. 10.5530/ijper.20256434

By:

Kodipyaka, Ravinder;
Govindu, Sumalatha

Publication type:

Article

Anti atherosclerosis effect and mechanism of a novel curcumin analogue CACN136: regulating macrophage M1/M2 polarization and lipid metabolism.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1632647

By:

Zhao, Qianjiao;
Zhong, Yueting;
Li, Zheng;
Tang, Jia;
Pi, Chao;
Zheng, Wenwu;
Shi, Peng;
Zuo, Ying;
Jiang, Jun;
Yang, Yan;
Chu, Shifeng;
Wei, Yumeng;
Zhao, Ling

Publication type:

Article

Fluorine‐Containing 6‐Azabicyclo[3.1.1]heptanes: Bicyclic Piperidine Analogs for Drug Discovery.

Published in:

European Journal of Organic Chemistry, 2025, v. 28, n. 17, p. 1, doi. 10.1002/ejoc.202500022

By:

Chernykh, Anton V.;
Liashuk, Oleksandr S.;
Hurieva, Anastasiia M.;
Lesyk, Dmytro;
Holota, Yuliia;
Borysko, Petro;
Shishkina, Svitlana V.;
Volochnyuk, Dmytro M.;
Grygorenko, Oleksandr O.

Publication type:

Article

Multimodal fusion with relational learning for molecular property prediction.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01586-z

By:

Zhou, Zhengyang;
Li, Yunrui;
Hong, Pengyu;
Xu, Hao

Publication type:

Article

Synthesis of 3,3-oxaspirocycles via cobalt-catalyzed cascade C-H activation and carboamidation of alkynes.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01580-5

By:

Garai, Bholanath;
Ali, Molla Rahamat;
Premkumar, J. Richard;
Sundararaju, Basker

Publication type:

Article

Identification of potent inhibitors of Leishmania donovani and Leishmania infantum chagasi, the causative agents of Old and New World visceral leishmaniasis.

Published in:

Communications Biology, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42003-025-08386-0

By:

Zulfiqar, Bilal;
Colombo, Fabio Antonio;
Nunes, Juliana Barbosa;
Espuri, Patricia Ferreira;
Ferreira, Aurea Favero;
Manthri, Sujatha;
De Rycker, Manu;
Marques, Marcos Jose;
Avery, Vicky M.

Publication type:

Article

Unlocking potent anti-tuberculosis natural products through structure–activity relationship analysis.

Published in:

Natural Products & Bioprospecting, 2025, v. 15, n. 1, p. 1, doi. 10.1007/s13659-025-00529-4

By:

Abdjul, Delfly Booby;
Budiyanto, Fitri;
Wibowo, Joko Tri;
Murniasih, Tutik;
Rahmawati, Siti Irma;
Indriani, Dwi Wahyu;
Putra, Masteria Yunovilsa;
Bayu, Asep

Publication type:

Article

Utilizing small molecules to probe and harness the proteome by pooled protein tagging with ligandable domains.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1593844

By:

Larrimore, Katherine E.;
Serebrenik, Yevgeniy V.

Publication type:

Article

A Unified Approach to Compute Kirchhoff Index and Resistance Distances of Molecular Networks.

Published in:

Journal of Molecular & Engineering Materials, 2025, v. 13, n. 4, p. 1, doi. 10.1142/S225123732550011X

By:

Zaman, Shahid;
Rab, Hamna Abdul;
Ahmad, Wakeel;
Kosar, Zunaira

Publication type:

Article

Identification of Phytochemicals as Promising GSK-3β Inhibitors for Cancer Therapeutic Potential Through Virtual Screening, Molecular Docking, MD Simulation and MM-PBSA Calculation.

Published in:

Journal of Computational Biophysics & Chemistry, 2026, v. 25, n. 3, p. 485, doi. 10.1142/S2737416525500565

By:

Saadh, Mohamed J.;
Hussein, Wael Sheet;
Alfarttoosi, Karar H.;
Bishoyi, Ashok Kumar;
Roopashree, R.;
Kundlas, Mayank;
Chennakesavulu, Kattela;
Kubaev, Aziz;
Taher, Waam Mohammed;
Alwan, Mariem;
Jawad, Mahmood Jasem;
Ali Al-Nuaimi, Ali M.;
Farhood, Bagher

Publication type:

Article

Understanding the gap between expectations and reality in decentralized clinical trials.

Published in:

NPJ Digital Medicine, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s41746-025-01811-y

By:

Jiang, Yale;
Leng, Ye;
Wu, Qing;
Hou, Yiru;
Dong, Xueyuan;
Zeng, Caiwen;
Wu, Dawei;
Fang, Hong;
Tang, Yu;
Huang, Huiyao;
Li, Ning

Publication type:

Article

PHYTOCHEMICAL CHARACTERIZATION AND BIOACTIVITY ASSESSMENT OF AETHIONEMA SCHISTOSUM WITH A FOCUS ON ENZYME INHIBITION AND ANTIOXIDANT POTENTIAL.

Published in:

Studia Universitatis Babes-Bolyai, Chemia, 2025, v. 70, n. 2, p. 1

By:

PEKACAR, Sultan;
GÜVERTİ, Ömer Furkan;
ÖZÜPEK, Burçin;
NEGİZ, Haticenur;
TUGAY, Osman;
DELİORMAN ORHAN, Didem

Publication type:

Article

Use of new approach methodology for hepatic safety assessment of covalent inhibitor drug candidates.

Published in:

Toxicology Research, 2025, v. 14, n. 3, p. 1, doi. 10.1093/toxres/tfaf054

By:

Amberntsson, Sara;
Foster, Alison J;
Chouhan, Bhavik;
Wilkinson, Stephen;
Harlfinger, Stephanie;
Smith, Graham;
Kettle, Jason G;
Niedbala, Michael;
Kavanagh, Stefan;
Williams, Dominic P

Publication type:

Article

In silico and In vitro Analysis of Justicia adhatoda Methanol Extract: Molecular docking Insights and A Promising Approach for Drug Discovery.

Published in:

Oriental Journal of Chemistry, 2025, v. 41, n. 2, p. 498, doi. 10.13005/ojc/410219

By:

PRABA, A. ANGEL;
STELLA, P. CHRISTINA RUBY;
NIVETHA, A.

Publication type:

Article

Advancing Topoisomerase Research Using DNA Nanotechnology (Small Methods 6/2025).

Published in:

Small Methods, 2025, v. 9, n. 6, p. 1, doi. 10.1002/smtd.202570040

By:

Yesodi, Doron;
Katz, Adi;
Weizmann, Yossi

Publication type:

Article

Advancing Topoisomerase Research Using DNA Nanotechnology.

Published in:

Small Methods, 2025, v. 9, n. 6, p. 1, doi. 10.1002/smtd.202401113

By:

Yesodi, Doron;
Katz, Adi;
Weizmann, Yossi

Publication type:

Article

Orthotopic pituitary tumors generated by stereotaxic GC cell injection in immunocompetent rats.

Published in:

Acta Neuropathologica Communications, 2025, v. 13, n. 1, p. 1, doi. 10.1186/s40478-025-02052-6

By:

Lefevre, Etienne;
Chasseloup, Fanny;
Ladurelle, Nataly;
Janot, Clément;
Thibaud, Jean Laurent;
Beau, Isabelle;
Adam, Clovis;
Courtils, Céline des;
Zizzari, Philippe;
Carpentier, Alexandre;
Kamenický, Peter

Publication type:

Article

Exploiting functional regions in the viral RNA genome as druggable entities.

Published in:

eLife, 2025, p. 1, doi. 10.7554/eLife.103923

By:

Dehua Luo;
Yingge Zheng;
Zhiyuan Huang;
Zi Wen;
Lijun Guo;
Yingxiang Deng;
Qingling Li;
Yuqing Bai;
Haider, Shozeb;
Dengguo Wei

Publication type:

Article

The Evolution of Fluorescein into A Potential Theranostic Tool.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 34, p. 1, doi. 10.1002/chem.202501513

By:

Adamis, Konstantinos S.;
Georgoulakis, Michail;
Angelonidis, Ioannis;
Korovesis, Dimitris;
Papadopoulos, Christos;
Kapsalis, Michael;
Tavernarakis, Nektarios;
Eleftheriadis, Nikolaos;
Neochoritis, Constantinos G.

Publication type:

Article