Results 31 to 40 of about 13,701,591 (243)

Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

Frontiers in Chemistry, 2021
The recent pandemic outbreak of COVID-19, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), raised global health and economic concerns.
Chandrabose Selvaraj, Umesh Panwar, Dhurvas Chandrasekaran Dinesh, Evzen Boura, Poonam Singh, Vikash Kumar Dubey, Sanjeev Kumar Singh   +6 more
doaj   +1 more source

Marine Natural Products in Clinical Use

Marine Drugs, 2022
Marine natural products are potent and promising sources of drugs among other natural products of plant, animal, and microbial origin. To date, 20 drugs from marine sources are in clinical use.
Neshatul Haque, Sana Parveen, Tingting Tang, Jiaen Wei, Zunnan Huang   +4 more
doaj   +1 more source

Correction: Haque et al. Marine Natural Products in Clinical Use. Mar. Drugs 2022, 20, 528

Marine Drugs, 2022
The authors would like to make corrections to a recently published paper [...]
Neshatul Haque, Sana Parveen, Tingting Tang, Jiaen Wei, Zunnan Huang   +4 more
doaj   +1 more source

Developing novel Lin28 inhibitors by computer aided drug design. [PDF]

Cell Death Discov
Lin28 is a key regulator of cancer stem cell gene network that promotes therapy-resistant tumor progression in various tumors. However, no Lin28 inhibitor has been approved to treat cancer patients, urging exploration of novel compounds as candidates to ...
Matias-Barrios VM, Radaeva M, Rosellinny G, Jia Q, Xie N, Villanueva M, Ibrahim H, Smith J, Gleave M, Lallous N, Straus SK, Cherkasov A, Dong X.   +12 more
europepmc   +2 more sources

Synthesis and p38 Inhibitory Activity of Some Novel Substituted N,N′-Diarylurea Derivatives

Molecules, 2016
We have identified a novel series of substituted N,N′-diarylurea p38α inhibitors. The inhibitory activity of the target compounds against the enzyme p38α, MAPKAPK2 in BHK cells, TNF-α release in LPS-stimulated THP-1 cells and p38α binding experiments ...
Dianxi Zhu, Qifeng Xing, Ruiyuan Cao, Dongmei Zhao, Wu Zhong   +4 more
doaj   +1 more source

In Silico Methods for Identification of Potential Active Sites of Therapeutic Targets

Molecules, 2022
Target identification is an important step in drug discovery, and computer-aided drug target identification methods are attracting more attention compared with traditional drug target identification methods, which are time-consuming and costly.
Jianbo Liao, Qinyu Wang, Fengxu Wu, Zunnan Huang   +3 more
doaj   +1 more source

Computer-Aided Drug Design in Research on Chinese Materia Medica: Methods, Applications, Advantages, and Challenges. [PDF]

Pharmaceutics
Chinese materia medica (CMM) refers to the medicinal substances used in traditional Chinese medicine. In recent years, CMM has become globally prevalent, and scientific research on CMM has increasingly garnered attention. Computer-aided drug design (CADD)
Chen B, Liu S, Xia H, Li X, Zhang Y.
europepmc   +2 more sources

Design, Synthesis and Biological Evaluation of Novel Substituted N,N′-Diaryl ureas as Potent p38 Inhibitors

Molecules, 2015
A novel series of substituted N,N′-diaryl ureas that act as p38α inhibitors have been designed and synthesized based on two key residues (Gly110 and Thr106) that are different in p38α MAPK than in other kinases.
Dianxi Zhu, Xingzhou Li, Wu Zhong, Dongmei Zhao   +3 more
doaj   +1 more source

Changes in Alprazolam Metabolism by CYP3A43 Mutants

Biomedicines, 2022
Alprazolam is a triazolobenzodiazepine which is most commonly used in the short-term management of anxiety disorders, often in combination with antipsychotics. The four human members of the CYP3A subfamily are mainly responsible for its metabolism, which
Jie Zhao, Sijie Liu, Clemens Alexander Wolf, Gerhard Wolber, Maria Kristina Parr, Matthias Bureik   +5 more
doaj   +1 more source

A Review On Computer-Aided Drug Design And Discovery [PDF]

, 2023
A new drug\u27s discovery and development are typically thought of as an extremely difficult process that requires a lot of time and resources. Therefore, to improve the effectiveness of the drug discovery and development process, computer-aided drug ...
Vijay V. Shewale, Sushant M. Ahire, Prerana S. Pawar, Dhananjay M Patil, Dhanashree P. Sonawane, Aditi M. Kokande, Shivraj P. Jadhav   +6 more
core   +1 more source