Works matching DE "DRUG design"

Results: 5000

Unraveling the artificial intelligence role in drug discovery and pharmaceutical product design: an opportunity and challenges.

Published in:

Discover Artificial Intelligence, 2025, v. 5, n. 1, p. 1, doi. 10.1007/s44163-025-00330-9

By:

Pandey, Bhakti Sudha;
Durgapal, Sumit;
Kumar, Prashant;
Kukreti, Gauree;
Jain, Anjali;
Paliwal, Girish;
Kumar, Manish

Publication type:

Article

Research on Key Technologies for Analyzing Quantum Computing with Deep Learning.

Published in:

SPIN (2010-3247), 2025, v. 15, n. 2, p. 1, doi. 10.1142/S2010324724400083

By:

Chen, Keyu;
Shi, Lei;
He, Chengyan;
Yu, Yongrui;
Deng, Kaifeng

Publication type:

Article

Molecular Insight into Anti-Biofilm Agents: Unraveling Mechanisms with Topological Descriptors and QSPR Analysis.

Published in:

Journal of Molecular & Engineering Materials, 2025, v. 13, n. 3, p. 1, doi. 10.1142/S2251237325500030

By:

Ahmed, Wakeel;
Zaman, Shahid;
Tawhari, Qasem M.;
Ahmad, Ali;
Koam, Ali N. A.

Publication type:

Article

Evaluating AutoGrow4 – an open-source toolkit for semi-automated computer-aided drug discovery.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 6, p. 711, doi. 10.1080/17460441.2025.2499122

By:

Bassani, Davide;
Pavan, Matteo;
Moro, Stefano

Publication type:

Article

Water in drug design: pitfalls and good practices.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 6, p. 745, doi. 10.1080/17460441.2025.2497912

By:

Zsidó, Balázs Zoltán;
Hetényi, Csaba

Publication type:

Article

Use of pharmacokinetic versus pharmacodynamic endpoints to support human dose predictions: implications for rational drug design and early clinical development.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 6, p. 735, doi. 10.1080/17460441.2025.2491670

By:

Li, Rui;
Maurer, Tristan S.

Publication type:

Article

LEGAL AND POLICY ISSUES SURROUNDING AI-ASSISTED CHEMISTRY AND DRUG DISCOVERY.

Published in:

Arizona Law Journal of Emerging Technologies, 2024, v. 8, p. i

By:

Schultz, Lauren

Publication type:

Article

Comparative study of degree and neighborhood degree sum-based topological indices for predicting physicochemical properties of skin cancer drug structures.

Published in:

Modern Physics Letters B, 2025, v. 39, n. 25, p. 1, doi. 10.1142/S0217984925501064

By:

Arockiaraj, Micheal;
Godlin, J. J. Jeni;
Radha, S.

Publication type:

Article

Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01553-8

By:

López-García, Úrsula;
Vietor, Jan;
Marschner, Julian A.;
Heering, Jan;
Morozov, Vasily;
Wein, Thomas;
Merk, Daniel

Publication type:

Article

Kinetic Stability of Amorphous Glasses of New Sulfonamide-Based Prodrugs According to Differential Scanning Calorimetry Data.

Published in:

Russian Journal of General Chemistry, 2025, v. 95, n. 5, p. 1225, doi. 10.1134/S1070363225601929

By:

Lapuk, S. E.;
Nasibullin, I. O.;
Zubaidullina, L. S.;
Larionov, R. A.;
Burilov, V. A.;
Khayarov, Kh. R.;
Nagrimanov, R. N.;
Gerasimov, A. V.

Publication type:

Article

Applications and Possible Mechanisms of ULK4 in Brain: Implications for Neuropsychiatric Disorders.

Published in:

Journal of Integrative Neuroscience, 2025, v. 24, n. 5, p. 1, doi. 10.31083/JIN31350

By:

Wen Luo;
Jisheng Wang;
Jing Chen

Publication type:

Article

Dual COX-2/TNF-α Inhibitors as Promising Anti-inflammatory and Cancer Chemopreventive Agents: A Review.

Published in:

IJ Pharmaceutical Research (IJPR), 2024, v. 23, n. 1, p. 1, doi. 10.5812/ijpr-151312

By:

Tajdari, Mobina;
Peyrovinasab, Amirreza;
Bayanati, Maryam;
Rabbani, Mohammad Ismail Mahboubi;
Abdolghaffari, Amir Hossein;
Zarghi, Afshin

Publication type:

Article

Molecular Pathways in Idiopathic Pulmonary Fibrosis: A Review of Novel Insights for Drug Design.

Published in:

Drug Development Research, 2025, v. 86, n. 3, p. 1, doi. 10.1002/ddr.70094

By:

Kahvecioglu, Dilay

Publication type:

Article

Susana Vázquez Torres: the power of computational protein design.

Published in:

2025

By:

Lesher Treviño, Ana

Publication type:

Interview

Mit KI vom Molekül zum Therapeutikum.

Published in:

Kompass Ophthalmologie, 2025, v. 11, n. 2, p. 54, doi. 10.1159/000545950

By:

Strauß, Olaf

Publication type:

Article

Synthesis and anti-hepatic fibrosis activity of novel matrine tricyclic derivatives.

Published in:

Australian Journal of Chemistry, 2025, v. 78, n. 5, p. 1, doi. 10.1071/CH24160

By:

Wang, Yongchuang;
Yang, Hang;
Tang, Wenming;
Zhou, Luozhu;
Wang, Chuanhao;
Huang, Anhua;
Zhang, Daozuan;
Yao, Zheng;
Li, Wei;
Zhang, Wannian;
Wu, Yuelin;
Xu, Weiheng;
Miao, Zhenyuan

Publication type:

Article

Structural Basis for the GGGGCC Repeat RNA Binding to SRSF2 Protein<sup>†</sup>.

Published in:

Chinese Journal of Chemistry, 2025, v. 43, n. 12, p. 1348, doi. 10.1002/cjoc.70004

By:

Liu, Yu;
Yang, Yingquan;
Zhang, Yuchao;
Yi, Jie;
Wan, Liqi;
Wang, Yang;
Gao, Qian;
Xu, Dong;
Guo, Pei;
Han, Da

Publication type:

Article

Formulation and Optimization of Pyrazinamide-Loaded Solid Lipid Nanoparticles by Employing a Design of Experiments Approach.

Published in:

Turkish Journal of Pharmaceutical Sciences, 2025, v. 22, n. 2, p. 1, doi. 10.4274/tjps.galenos.2025.66350

By:

CHOKSHI, Nimitt;
VINCHHI, Preksha;
CHAUHAN, Shreyansh;
PATEL, Mayur

Publication type:

Article

All-stage targeted nanodiscs for glioma treatment by inducing cuproptosis and apoptosis of cancer cells and cancer stem cells.

Published in:

Asian Journal of Pharmaceutical Sciences, 2025, v. 20, n. 2, p. 1, doi. 10.1016/j.ajps.2024.101010

By:

Yuan Ding;
Ruohan Chen;
Jianfen Zhou;
Yanning Bao;
Nana Meng;
Xudong Zheng;
Shengmin Yang;
Jiasheng Lu;
Zhixuan Jiang;
Yu Liu;
Cao Xie;
Linwei Lu;
Weiyue Lu

Publication type:

Article

Network‐Based Integrative Analysis to Identify Key Genes and Corresponding Reporter Biomolecules for Triple‐Negative Breast Cancer.

Published in:

Cancer Medicine, 2025, v. 14, n. 9, p. 1, doi. 10.1002/cam4.70674

By:

Singh, Pooja;
Chaturvedi, Rupesh;
Somvanshi, Pallavi

Publication type:

Article

DESIGN, MOLECULAR MODELING, SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL EVALUATION OF NEW NSAIDS DERIVATIVES WITH POSSIBLE COX-2 SELECTIVITY.

Published in:

Obstetrics & Gynaecology Forum, 2024, v. 34, n. 3, p. 1869

By:

okab, Noor Majid;
Shaheed, Dhurgam Qasim

Publication type:

Article

Novel treatment approaches utilizing antibody-drug conjugates in breast cancer.

Published in:

NPJ Breast Cancer, 2025, v. 11, n. 1, p. 1, doi. 10.1038/s41523-025-00743-w

By:

Davis, Andrew A.;
Hesse, Jennifer;
Pereira, Patrícia M. R.;
Ma, Cynthia X.

Publication type:

Article

Revealing arginine-cysteine and glycine-cysteine NOS linkages by a systematic re-evaluation of protein structures.

Published in:

Communications Chemistry, 2025, v. 8, n. 1, p. 1, doi. 10.1038/s42004-025-01535-w

By:

Bazzi, Sophia;
Sayyad, Sharareh

Publication type:

Article

Structure and Inhibition of the Human Na + /H + Exchanger SLC9B2.

Published in:

International Journal of Molecular Sciences, 2025, v. 26, n. 9, p. 4221, doi. 10.3390/ijms26094221

By:

Jung, Sukkyeong;
Kokane, Surabhi;
Li, Hang;
Iwata, So;
Nomura, Norimichi;
Drew, David

Publication type:

Article

Predicting Distribution Coefficients (LogD) of Cyclic Peptides Using Molecular Dynamics Simulations.

Published in:

Pharmaceutical Research, 2025, v. 42, n. 4, p. 613, doi. 10.1007/s11095-025-03850-2

By:

Lou, Hao;
Feng, Mei;
Al-Tamimi, Zahraa;
Kuczera, Krzysztof;
Hageman, Michael J.

Publication type:

Article

De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening.

Published in:

Journal of Chemometrics, 2025, v. 39, n. 5, p. 1, doi. 10.1002/cem.70037

By:

Sun, Hai‐Bo;
Wu, Hai‐Long;
Wang, Tong;
Chen, An‐Qi;
Yu, Ru‐Qin

Publication type:

Article

Drug delivery process simulation—Quantifying the conformation dynamics of paclitaxel and cremophor EL.

Published in:

PLoS ONE, 2025, v. 20, n. 5, p. 1, doi. 10.1371/journal.pone.0313813

By:

Uddin, Mafiz;
Coombe, Dennis

Publication type:

Article

Rational design of allosteric inhibitors targeting C797S mutant EGFR in NSCLC: an integrative in silico and in-vitro study.

Published in:

Frontiers in Oncology, 2025, p. 1, doi. 10.3389/fonc.2025.1590779

By:

Wang, Jian;
Yuan, Feiyang;
Kendre, Mahadevi;
He, Zhijin;
Dong, Shaowei;
Patil, Abhinandan;
Padvi, Kausing

Publication type:

Article

There's a Pill for That: Bad Pharmaceutical Scaffolding and Psychiatrization.

Published in:

Topoi: An International Review of Philosophy, 2025, v. 44, n. 2, p. 353, doi. 10.1007/s11245-024-10147-3

By:

Lavallee, Zoey

Publication type:

Article

Unraveling potential EGFR kinase inhibitors: Computational screening, molecular dynamics insights, and MMPBSA analysis for targeted cancer therapy development.

Published in:

PLoS ONE, 2025, v. 20, n. 5, p. 1, doi. 10.1371/journal.pone.0321500

By:

Khan, Muhammad Naseem;
Farooq, Umar;
Khushal, Aneela;
Wani, Tanveer A.;
Zargar, Seema;
Khan, Sara

Publication type:

Article

Adenocarpine, Marmesin, and Lycocernuine from Ficus benjamina as Promising Inhibitors of Aldose Reductase in Diabetes: A Bioinformatics-Guided Approach.

Published in:

Applied Biochemistry & Biotechnology, 2025, v. 197, n. 5, p. 3215, doi. 10.1007/s12010-024-05160-6

By:

Rahman, M. Oliur;
Ahmed, Sheikh Sunzid;
Alqahtani, Ali S.;
Hamid, Kaiser;
Sultana, Maria;
Ali, Mohammad Ajmal

Publication type:

Article

Sensitivity analysis on protein-protein interaction networks through deep graph networks.

Published in:

BMC Bioinformatics, 2025, v. 26, n. 1, p. 1, doi. 10.1186/s12859-025-06140-1

By:

Dipalma, Alessandro;
Fontanesi, Michele;
Micheli, Alessio;
Milazzo, Paolo;
Podda, Marco

Publication type:

Article

FORMULATION, OPTIMIZATION AND EVALUATION OF MUCOADHESIVE BUCCAL TABLETS OF ONDANSETRON FOR ENHANCED BIOAVAILABILITY AND SUSTAINED DRUG RELEASE.

Published in:

Biochemical & Cellular Archives, 2025, v. 25, n. 1, p. 1063, doi. 10.51470/bca.2025.25.1.1063

By:

Patel, Prince;
Jain, Piyush;
Patel, Hetvarth;
Tiwari, Aman;
Rathi, Sanjesh;
Singh, Shubham

Publication type:

Article

EVALUATION OF NOVEL CELECOXIB DERIVATIVES FOR ENHANCED GASTROINTESTINAL SAFETY IN OSTEOARTHRITIS.

Published in:

Biochemical & Cellular Archives, 2025, v. 25, n. 1, p. 843, doi. 10.51470/bca.2025.25.1.843

By:

Mandekar, Ankita S.;
Ghani, Mubeen;
Kumar, Dhirendra;
Murthy, Lalitha Narasimha;
Muztaba, Mohammad;
Bhoi, Mitul;
Kori, Yashpal

Publication type:

Article

Fluorine in the Pharmaceutical Industry: FDA‐Approved Fluorine‐Containing Drugs in 2024.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 25, p. 1, doi. 10.1002/chem.202500662

By:

Du, Youlong;
Bian, Yeping;
Baecker, Daniel;
Dhawan, Gagan;
Semghouli, Anas;
Kiss, Loránd;
Zhang, Wei;
Sorochinsky, Alexander E.;
Soloshonok, Vadim A.;
Han, Jianlin

Publication type:

Article

Finding patterns in lung cancer protein sequences for drug repurposing.

Published in:

PLoS ONE, 2025, v. 20, n. 5, p. 1, doi. 10.1371/journal.pone.0322546

By:

Otero-Carrasco, Belén;
Nevado, Paloma Tejera;
Muñoz, Rafael Artiñano;
Ferreiro, Gema Díaz;
Pérez, Aurora Pérez;
Caraça-Valente Hernández, Juan Pedro;
Rodríguez-González, Alejandro

Publication type:

Article

In-depth understanding of the structure-based reactive metabolite formation of organic functional groups.

Published in:

Drug Metabolism Reviews, 2025, v. 57, n. 2, p. 147, doi. 10.1080/03602532.2025.2472076

By:

He, Chunyong;
Mao, Yuchang;
Wan, Hong

Publication type:

Article

Advancing target validation with PROTAC technology.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 5, p. 551, doi. 10.1080/17460441.2025.2490248

By:

Spitz, M. Leora;
Kashkush, Aseel;
Benhamou, Raphael I.

Publication type:

Article

Artificial intelligence to predict inhibitors of drug-metabolizing enzymes and transporters for safer drug design.

Published in:

Expert Opinion on Drug Discovery, 2025, v. 20, n. 5, p. 621, doi. 10.1080/17460441.2025.2491669

By:

Bhattacharjee, Arnab;
Kumar, Ankur;
Ojha, Probir Kumar;
Kar, Supratik

Publication type:

Article

Current perspectives in drug targeting intrinsically disordered proteins and biomolecular condensates.

Published in:

BMC Biology, 2025, v. 23, n. 1, p. 1, doi. 10.1186/s12915-025-02214-x

By:

Qin, Caolitao;
Wang, Yun-Long;
Zheng, Jian;
Wan, Xiang-Bo;
Fan, Xin-Juan

Publication type:

Article

M-DeepAssembly: enhanced DeepAssembly based on multi-objective multi-domain protein conformation sampling.

Published in:

BMC Bioinformatics, 2025, v. 26, n. 1, p. 1, doi. 10.1186/s12859-025-06131-2

By:

Cui, Xinyue;
Xia, Yuhao;
Hou, Minghua;
Zhao, Xuanfeng;
Wang, Suhui;
Zhang, Guijun

Publication type:

Article

The Potassium Channels are an Important Target in Cancer Therapy.

Published in:

Nature & Science / Təbiət və Elm, 2025, v. 7, n. 4, p. 82, doi. 10.36719/2707-1146/55/82-88

By:

Gudratova, Fidan;
Aliyeva, Aysel;
Mahmudova, Sevda;
Gasimov, Karim;
Yusifov, Taleh

Publication type:

Article

Therapeutic potential of natural arginase modulators: mechanisms, challenges, and future directions.

Published in:

Frontiers in Pharmacology, 2025, p. 1, doi. 10.3389/fphar.2025.1514400

By:

Li, Ting;
Wang, Jieying;
Wang, Huan;
Zhang, Bowei;
Duan, Lijuan

Publication type:

Article

MolEM: a unified generative framework for molecular graphs and sequential orders.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 2, p. 1, doi. 10.1093/bib/bbaf094

By:

Zhang, Hanwen;
Xiong, Deng;
Liu, Xianggen;
Lv, Jiancheng

Publication type:

Article

GEMDiff: a diffusion workflow bridges between normal and tumor gene expression states: a breast cancer case study.

Published in:

Briefings in Bioinformatics, 2025, v. 26, n. 2, p. 1, doi. 10.1093/bib/bbaf093

By:

Ai, Xusheng;
Smith, Melissa C;
Feltus, F Alex

Publication type:

Article

Latin American breakthrough on vaccines.

Published in:: Lamp (0047-3936), 2021, v. 78, n. 4, p. 37
Publication type:: Article

Australia has a good track record in vaccine development.

Published in:

2020

By:

Hoddle, Georgina

Publication type:

Letter to the Editor

AI produces powerful new antibiotic.

Published in:: Lamp (0047-3936), 2020, v. 77, n. 2, p. 38
Publication type:: Article

Update on the target structures of SARS-CoV-2: A systematic review.

Published in:

Indian Journal of Pharmacology, 2020, v. 52, n. 2, p. 142, doi. 10.4103/ijp.IJP_338_20

By:

Prajapat, Manisha;
Sarma, Phulen;
Shekhar, Nishant;
Prakash, Ajay;
Avti, Pramod;
Bhattacharyya, Anusuya;
Kaur, Hardeep;
Kumar, Subodh;
Bansal, Seema;
Sharma, Amit Raj;
Medhi, Bikash

Publication type:

Article

Novel targets for drug discovery in celiac disease.

Published in:

Indian Journal of Pharmacology, 2019, v. 51, n. 5, p. 359, doi. 10.4103/ijp.IJP_679_19

By:

Singh, Rahul Soloman;
Singh, Ashutosh;
Batra, Gitika;
Kaur, Hardeep;
Medhi, Bikash

Publication type:

Article