Works about DRUG discovery

Results: 5000

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

BEHIND THE BREAKTHROUGHS: THE STRATEGIC RISE OF CONTRACT RESEARCH ORGANIZATIONS IN PHARMA.

Published in:

i-Manager's Journal on Life Sciences (JLS), 2025, v. 4, n. 1, p. 1, doi. 10.26634/jls.4.1.22064

By:

SADHANA, BONDILI

Publication type:

Article

Visible Light‐Induced Sulfonamidation of [1.1.1]Propellane Promoted by Energy Transfer Catalysis.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 36, p. 1, doi. 10.1002/chem.202501164

By:

Lan, Deyou;
Zhou, Wei;
Li, Zhi;
Wang, Yue;
Li, Longyi;
Xu, Wenhao;
Zhu, Hui;
Xu, Gongcheng;
Zhu, Yu;
Jiang, Xinpeng

Publication type:

Article

A Ketol‐Acid Reductoisomerase Inhibitor That Has Antituberculosis and Herbicidal Activity.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 36, p. 1, doi. 10.1002/chem.202501158

By:

Lin, Xin;
Kurz, Julia L.;
Li, Yong‐Hong;
Wun, Shun Jie;
Lonhienne, Thierry;
McGeary, Ross P.;
West, Nicholas P.;
Schenk, Gerhard;
Wang, Jian‐Guo;
Guddat, Luke W.

Publication type:

Article

A High-Throughput Inhibitor Screen Targeting CLAG3 Export and Membrane Insertion on Human Erythrocytes Infected with Malaria Parasites.

Published in:

Pathogens, 2025, v. 14, n. 6, p. 520, doi. 10.3390/pathogens14060520

By:

Shao, Jinfeng;
Chu, Jonathan;
Mohammad, Kashif;
Desai, Sanjay A.

Publication type:

Article

Intelligent Care: A Scientometric Analysis of Artificial Intelligence in Precision Medicine.

Published in:

Medical Sciences, 2025, v. 13, n. 2, p. 44, doi. 10.3390/medsci13020044

By:

Adam, Khalid M.;
Ali, Elshazali W.;
Elangeeb, Mohamed E.;
Abuagla, Hytham A.;
Elamin, Bahaeldin K.;
Ahmed, Elsadig M.;
Edris, Ali M.;
Ahmed, Abubakr A. Elamin Mohamed;
Eltieb, Elmoiz I.

Publication type:

Article

The Nano-Based Catalyst for the Synthesis of Benzimidazoles.

Published in:

Topics in Catalysis, 2025, v. 68, n. 13, p. 1449, doi. 10.1007/s11244-022-01562-0

By:

Keri, Rangappa S.;
Adimule, Vinayak;
Kendrekar, Pravin;
Sasidhar, B. S.

Publication type:

Article

Editorial: Multi-target drug discovery and design for complex health disorders.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1633600

By:

Badria, Farid A.;
De Filippis, Barbara;
El-Magd, Mohammed Abu;
Elbadawi, Mostafa M.;
Hamdi, Abdelrahman;
Elgazar, Abdullah A.

Publication type:

Article

Emerging RNA-centric technologies to probe RNA-protein interactions: importance in decoding the life cycle of positive sense single strand RNA viruses and antiviral discovery.

Published in:

Frontiers in Cellular & Infection Microbiology, 2025, p. 1, doi. 10.3389/fcimb.2025.1580337

By:

Ghosh, Sreemoyee;
Kumar, Shivam;
Verma, Rohit;
Ansari, Shabnam;
Chatterjee, Samrat;
Surjit, Milan

Publication type:

Article

Drug discovery in advanced and recurrent endometrial cancer: Recent advances.

Published in:

Oncology Research, 2025, v. 33, n. 7, p. 1511, doi. 10.32604/or.2025.061120

By:

FRANCOEUR, ALEX A.;
AYOUB, NATALIE;
GREENBERG, DANIELLE;
TEWARI, KRISHNANSU S.

Publication type:

Article

A Chemoinformatics Investigation of Spectral and Quantum Chemistry Patterns for Discovering New Drug Leads from Natural Products Targeting the PD-1/PD-L1 Immune Checkpoint, with a Particular Focus on Naturally Occurring Marine Products.

Published in:

Marine Drugs, 2025, v. 23, n. 6, p. 247, doi. 10.3390/md23060247

By:

Rabelo, Henrique;
Tsimiante, Ayana;
Binev, Yuri;
Pereira, Florbela

Publication type:

Article

Exploring Carboxamide Derivatives as Promising Anticancer Agents: Design, In Vitro Evaluation, and Mechanistic Insights.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 12, p. 5903, doi. 10.3390/ijms26125903

By:

Al-Najdawi, Manal M.;
Saleh, Maysaa M.;
Sabbah, Dima A.;
Hajjo, Rima;
Zalloum, Hiba;
Abudoleh, Suha M.;
Abuarqoub, Duaa A.;
Al-Hiari, Yusuf M.;
Mohammad, Mohammad Yasin;
ALSalamat, Husam;
Mansour, Hebah;
Aljbour, Nawzat D.;
Mestareehi, Aktham H.

Publication type:

Article

Condensation Reactions of 2-Aminothiophenoles to Afford 2-Substituted Benzothiazoles of Biological Interest: A Review (2020–2024).

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 12, p. 5901, doi. 10.3390/ijms26125901

By:

Padilla-Martínez, Itzia I.;
Cruz, Alejandro;
García-Báez, Efrén V.;
Mendieta-Wejebe, Jessica E.;
Rosales-Hernández, Martha C.

Publication type:

Article

Bioprospecting for Anti-Kinetoplastid Drug Discovery from Aloysia citrodora Essential Oil.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 12, p. 5697, doi. 10.3390/ijms26125697

By:

Omrani, Amani;
Ben Youssef, Meriam;
Sifaoui, Ines;
Hernández-Álvarez, Eduardo;
Trujillo-Rodríguez, María J.;
Saura-Cayuela, Montse;
Pino, Verónica;
Sebai, Hichem;
Bazzocchi, Isabel L.;
Lorenzo-Morales, Jacob;
Piñero, José E.;
Jiménez, Ignacio A.

Publication type:

Article

Improvement in Transient Agarose Spot (TAS) Cell Migration Assay: Microplate-Based Detection and Evaluation.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 12, p. 5584, doi. 10.3390/ijms26125584

By:

Veres-Székely, Apor;
Szász, Csenge;
Pap, Domonkos;
Bokrossy, Péter;
Lenzinger, Dorina;
Visnovitz, Tamás;
Mihály, Judith;
Pálmai, Marcell;
Varga, Zoltán;
Őrfi, László;
Szabó, Attila J.;
Vannay, Ádám;
Szebeni, Beáta

Publication type:

Article

DPPPRED-IV: An Ensembled QSAR-Based Web Server for the Prediction of Dipeptidyl Peptidase 4 Inhibitors.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 12, p. 5579, doi. 10.3390/ijms26125579

By:

Carpio, Laureano E.;
Olivares, Marta;
Ortega-Vallbona, Rita;
Serrano-Candelas, Eva;
Sanz, Yolanda;
Gozalbes, Rafael

Publication type:

Article

Synthesis, Stability, and Biological Evaluation of Novel Aminoderivatives Incorporating the Aza-Acridine Scaffold.

Published in:

Molecules, 2025, v. 30, n. 12, p. 2612, doi. 10.3390/molecules30122612

By:

Karelou, Maria;
Panara, Anthi;
Chatziorfanou, Eleftheria;
Giannopoulou, Aikaterini F.;
Stravopodis, Dimitrios J.;
Gikas, Evagelos;
Kostakis, Ioannis K.

Publication type:

Article

Accurate Prediction of Drug Activity by Computational Methods: Importance of Thermal Capacity.

Published in:

Molecules, 2025, v. 30, n. 12, p. 2563, doi. 10.3390/molecules30122563

By:

Palese, Luigi Leonardo

Publication type:

Article

Structural Aspects of Arylpiperazines as Aminergic GPCR Ligands.

Published in:

Molecules, 2025, v. 30, n. 12, p. 2545, doi. 10.3390/molecules30122545

By:

Bartyzel, Agata;
Cristóvão, Beata;
Kaczor, Agnieszka A.

Publication type:

Article

Crystal structures of Mycobacterium tuberculosis and Mycobacterium thermoresistibile glycyl-tRNA synthetases in various liganded states.

Published in:

PLoS ONE, 2025, v. 20, n. 6, p. 1, doi. 10.1371/journal.pone.0326500

By:

Fenwick, Michael K.;
DeRocher, Amy E.;
Craig, Justin K.;
Harmon, Elizabeth K.;
Seibold, Steve;
Liu, Lijun;
Battaile, Kevin P.;
Barrett, Lynn K.;
Van Voorhis, Wesley C.;
Phan, Isabelle Q.;
Staker, Bart L.;
Subramanian, Sandhya;
Lovell, Scott;
Myler, Peter J.

Publication type:

Article

Thienopyrimidine: Unveiling the Versatile Potential of a Promising Heterocyclic Scaffold in Drug Discovery.

Published in:

Chemical Biology & Drug Design, 2025, v. 105, n. 6, p. 1, doi. 10.1111/cbdd.70146

By:

Nadar, Sahaya;
Borkar, Maheshkumar;
Khan, Tabassum

Publication type:

Article

Cryo‐EM structures of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase in the apo state and in the presence of small molecules.

Published in:

Acta Crystallographica: Section F, Structural Biology Communications, 2025, v. 81, n. 7, p. 297, doi. 10.1107/S2053230X25004595

By:

Raina, Rahul;
Kar, Deepsikha;
Singla, Mohini;
Tiwari, Satish;
Kumari, Swati;
Aneja, Sonanjali;
Kumar, Varun;
Banerjee, Soumya;
Goyal, Shivika;
Pal, Ravi Kant;
Vinothkumar, Kutti R.;
Biswal, Bichitra

Publication type:

Article

Generative AI in South African Healthcare: Navigating Challenges and Harnessing Opportunities for Industry and Research.

Published in:

Management Dynamics, 2025, v. 25, n. 1, p. 22, doi. 10.57198/2583-4932.1353

By:

Paul, Linda;
Rena, Ravinder

Publication type:

Article

Bibliometric Analysis of Research on Genus Etlingera: Insights into its Biomedical Applications.

Published in:

Malaysian Journal of Health Sciences / Jurnal Sains Kesihatan Malaysia, 2025, v. 23, n. 1, p. 44, doi. 10.17576/JSKM-2025-2301-01

By:

Annuar, Fazalda;
Noordin, Liza;
Nizam Wan Ahmad, Wan Amir;
Abu Bakar, Ainul Bahiyah;
Mat Zin, Anani Aila

Publication type:

Article

Drug repurposing candidates for amyotrophic lateral sclerosis using common and rare genetic variants Open Access.

Published in:

Brain Communications, 2025, v. 7, n. 3, p. 1, doi. 10.1093/braincomms/fcaf184

By:

Gerring, Zachary F;
Bhalala, Oneil G;
Fearnley, Liam G;
Oikari, Lotta E;
White, Anthony R;
Derks, Eske M;
Watson, Rosie;
Yassi, Nawaf;
Bahlo, Melanie;
Reay, William R

Publication type:

Article

Unraveling Nature's Pharmacy: Transforming Medicinal Plants into Modern Therapeutic Agents.

Published in:

Pharmaceutics, 2025, v. 17, n. 6, p. 754, doi. 10.3390/pharmaceutics17060754

By:

Vaou, Natalia;
Voidarou, Chrysoula;
Rozos, Georgios;
Saldari, Chrysa;
Stavropoulou, Elisavet;
Vrioni, Georgia;
Tsakris, Athanasios

Publication type:

Article