Works matching DE "DRUG discovery"

Results: 5000

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

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

Late‐Stage Amination of Peptides on the Solid Phase.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 34, p. 1, doi. 10.1002/chem.202501229

By:

Brinkhofer, Julian;
Werner, Marius;
Kokollari, Agon;
Pan, Shih‐Yu;
Klein, Christian;
Pham, Truc Lam;
Thomas, Franziska

Publication type:

Article

Xanthopinacol Boronate: A Robust, Photochemically Assembled and Cleavable Boronic Ester for Orthogonal Chemistry.

Published in:

Angewandte Chemie, 2025, v. 137, n. 28, p. 1, doi. 10.1002/ange.202507571

By:

Heard, David M.;
Lessard, Martin C.;
Hall, Dennis G.

Publication type:

Article

MULTIOMICS INTEGRATION IN ANTI-TUBERCULOSIS DRUG DISCOVERY.

Published in:

Sanamed, 2025, v. 20, n. 1, p. 89, doi. 10.5937/sanamed0-51644

By:

Abubakar, Yaro

Publication type:

Article

Correction to: Finding antibodies in cryo-EM maps with CrAI Open Access.

Published in:: Bioinformatics, 2025, v. 41, n. 6, p. 1, doi. 10.1093/bioinformatics/btaf369
Publication type:: Article

OrthologAL: a Shiny application for quality-aware humanization of non-human pre-clinical high-dimensional gene expression data Open Access.

Published in:

Bioinformatics, 2025, v. 41, n. 6, p. 1, doi. 10.1093/bioinformatics/btaf311

By:

Chowdary, Rishika;
Suter, Robert K;
D'Antuono, Matthew;
Gomes, Cynthia;
Stein, Joshua;
Lee, Ki-Bum;
Lee, Jae K;
Ayad, Nagi G

Publication type:

Article

Mapping the space of protein binding sites with sequence-based protein language models Open Access.

Published in:

Bioinformatics, 2025, v. 41, n. 6, p. 1, doi. 10.1093/bioinformatics/btaf284

By:

Oruç, Tuğçe;
Kadukova, Maria;
Davies, Thomas G;
Verdonk, Marcel;
Poelking, Carl

Publication type:

Article

Synergizing multimodal data and fingerprint space exploration for mechanism of action prediction Open Access.

Published in:

Bioinformatics, 2025, v. 41, n. 6, p. 1, doi. 10.1093/bioinformatics/btaf223

By:

Hu, Kaimiao;
Wei, Jianguo;
Sun, Changming;
Geng, Jie;
Wei, Leyi;
Dai, Qi;
Su, Ran

Publication type:

Article

Pharmaceutical Innovation Through Computational Drug Design: A Comprehensive Exploration.

Published in:

Makara Journal of Science, 2025, v. 29, n. 2, p. 216, doi. 10.7454/mss.v29i2.2629

By:

Chandramouli, Manasa;
Surendra, Madhusudhan Heggadadevanakote

Publication type:

Article

COMPUTATIONAL EXPLORATION OF NEW DI-PHENYL QUINOLINE DERIVATIVES FOR THE DESIGN OF NOVEL ANTIDEPRESSANT AGENTS.

Published in:

Bayero Journal of Pure & Applied Sciences, 2024, v. 15, p. 122, doi. 10.4314/bajopas.v15i1.20S

By:

Yakubu, A. S.;
Idris, A. Y.;
Hamza, A. N.;
Musa, A. M.;
Abdullahi, M.;
Shehu, A.

Publication type:

Article

Editorial: Exploring novel targets and therapies to combat antimicrobial resistance.

Published in:

2025

By:

Tuz, Karina;
Juárez, Oscar X.;
Ceapă, Corina D.

Publication type:

Editorial

AI 民主化時代のベンダーの役割 ―画像解析技術の創薬プロセス応用への挑戦と協創―.

Published in:

Folia Pharmacologica Japonica, 2025, v. 160, n. 3, p. 201, doi. 10.1254/fpj.24109

By:

加藤祐樹;
河合宏紀

Publication type:

Article

GraphGIM: rethinking molecular graph contrastive learning via geometry image modeling.

Published in:

BMC Biology, 2025, v. 23, n. 1, p. 1, doi. 10.1186/s12915-025-02249-0

By:

Li, Chaoyi;
Xiang, Hongxin;
Du, Wenjie;
Ma, Tengfei;
Chen, Haowen;
Zeng, Xiangxiang;
Xu, Lei

Publication type:

Article

Pathway-divergent coupling of alkynes and cyclobutenes through enantioselective cobalt catalysis.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-61019-2

By:

Zhang, Jiwu;
Wu, Meng;
Zhang, Zhihan;
Chong, Qinglei;
Meng, Fanke

Publication type:

Article

A genotype-to-drug diffusion model for generation of tailored anti-cancer small molecules.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-60763-9

By:

Kim, Hyunho;
Bae, Bongsung;
Park, Minsu;
Shin, Yewon;
Ideker, Trey;
Nam, Hojung

Publication type:

Article

Structure-based discovery and experimental validation of HIT101481851 as a potential PKMYT1 inhibitor for pancreatic cancer.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1605741

By:

Wang, Ting;
Wang, Jingyu;
Yao, Gongxiong;
Zhang, Hongchao;
Song, Chenghui;
Ao, Xueren

Publication type:

Article

Eucommia ulmoides seed oil is a complementary food for suppressing digestive tumors.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1564999

By:

Wu, Jinzheng;
Wen, Liang;
Karthick Rajan, Durairaj;
Liu, Yan;
Yang, Xin;
Jiang, Hao;
Yan, Jinhua;
Shu, Bo;
Zhang, Shubing

Publication type:

Article

A comprehensive welfare scoring system for graft versus host disease clinical assessment in humanised mouse models used for pharmaceutical research.

Published in:

Frontiers in Immunology, 2025, p. 1, doi. 10.3389/fimmu.2025.1617528

By:

Nowak, Alice;
Marlow, Rebecca;
Ryan, Kelli;
Lapointe, Jean-Martin;
Sutton, Daniel;
Sharpe, Alan;
Crook, Lucy;
Walker, Jennifer A.;
Little, Emma;
Peverill, John;
Holberry-Brown, Adam;
Wassell, Emma;
McLaren-Jones, Robbie;
Cavanagh, Chelsea;
Dobre, Alex Vlad;
Baker, Tamara;
Clayton, Matthew;
Karp, Natasha A.;
Plugge, Michiel;
Thomas, Aurélie A.

Publication type:

Article

On the application of artificial intelligence in virtual screening.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 7, p. 845, doi. 10.1080/17460441.2025.2508866

By:

Thaingtamtanha, Thanawat;
Ravichandran, Rahul;
Gentile, Francesco

Publication type:

Article

Animal models for development of anti-obesity drugs in the age of GLP-1 agents.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 7, p. 913, doi. 10.1080/17460441.2025.2507766

By:

Culver, Alexander;
Stayrook, Keith;
Comerota, Michele;
Oblak, Adrian;
Burris, Thomas

Publication type:

Article

The latest advances with natural products in drug discovery and opportunities for the future: a 2025 update.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 7, p. 827, doi. 10.1080/17460441.2025.2507382

By:

Xie, Shaowen;
Zhan, Fangyi;
Zhu, Jingjie;
Xu, Shengtao;
Xu, Jinyi

Publication type:

Article

Recent developments in the utilization of pyridones as privileged scaffolds in drug discovery.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 7, p. 873, doi. 10.1080/17460441.2025.2507377

By:

Li, Zheyu;
Ma, Wenbo;
Gu, Linghui;
Xie, Jiayuan;
Yang, Kui;
Lin, Shibo

Publication type:

Article

The value of coimmunoprecipitation (Co-IP) assays in drug discovery.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 7, p. 859, doi. 10.1080/17460441.2025.2497913

By:

Cai, Zhongtian;
Wang, Danni;
Li, Zekun;
Gu, Mingxiao;
You, Qidong;
Wang, Lei

Publication type:

Article

Development of Low-Cost CNC-Milled PMMA Microfluidic Chips as a Prototype for Organ-on-a-Chip and Neurospheroid Applications.

Published in:

Organoids, 2025, v. 4, n. 2, p. 13, doi. 10.3390/organoids4020013

By:

Mishra, Sushmita;
Mondal, Ginia;
Kumarasamy, Murali

Publication type:

Article

Rising Researchers: the AAPS Open Editorial Series of Early Career Pharmaceutical Scientists.

Published in:

2025

By:

Moseson-Tarrh, Dana E.

Publication type:

Editorial

State-of-the-art in high throughput organ-on-chip for biotechnology and pharmaceuticals.

Published in:

Clinical & Experimental Reproductive Medicine, 2025, v. 52, n. 2, p. 114, doi. 10.5653/cerm.2024.06954

By:

Song, Suk-Heung;
Jeong, Sehoon

Publication type:

Article

Adaptive gradient scaling: integrating Adam and landscape modification for protein structure prediction.

Published in:

BMC Bioinformatics, 2025, v. 26, n. 1, p. 1, doi. 10.1186/s12859-025-06185-2

By:

Kapitan, Vitalii;
Choi, Michael

Publication type:

Article

Predicting Affinity Through Homology (PATH): Interpretable binding affinity prediction with persistent homology.

Published in:

PLoS Computational Biology, 2025, v. 21, n. 6, p. 1, doi. 10.1371/journal.pcbi.1013216

By:

Long, Yuxi;
Donald, Bruce R.

Publication type:

Article

Streamlining SuFEx Inhibitor Development: A Unified Approach Using Photolabile and Orthogonal Sulfinate Protecting Groups.

Published in:

Angewandte Chemie, 2025, v. 137, n. 27, p. 1, doi. 10.1002/ange.202505984

By:

Patel, Twinkle I.;
Williams, Makayla L.;
Chi, Yumeng;
Laha, Ramkrishna;
Moschitto, Matthew J.

Publication type:

Article