Results 31 to 40 of about 3,160,114 (308)

Structural requirements for ligands of the δ-opioid receptor [PDF]

Journal of the Serbian Chemical Society, 2009
The δ-opioid receptor is sensitive to ligand geometry. In order to assist the synthesis of new δ-selective opioid ligands, the structure elements of δ-selective opioid ligands necessary for their effective binding were investigated. The automated docking
Mićović Vuk I., Ivanović Milovan D., Došen-Mićović Ljiljana   +2 more
doaj   +3 more sources

In silico evaluation of ginsenoside analogs as β and γ-secretase inhibitors in Alzheimer’s disease [PDF]

Journal of Pharmacy & Pharmacognosy Research
Context: Alzheimer's disease is rising significantly and could reach alarming numbers in the coming decades. Therefore, diverse pathways are being explored to discover new therapies.
Neyder Contreras-Puentes, Isabella Manzur-Villalobos, Samuel Vargas-Chico, Antistio Alviz-Amador   +3 more
doaj   +1 more source

Using Advanced Industrial Robotics for Spacecraft Rendezvous and Docking Simulation [PDF]

, 2011
One of the most challenging and risky missions for spacecraft is to perform Rendezvous and Docking (RvD) autonomously in space. To ensure a safe and reliable operation, such a mission must be carefully designed and thoroughly verified before a real ...
Ou Ma, Boge, Toralf, Toralf Boge, Ma, Ou
core   +1 more source

Modeling the ligand specific m- and d-opioid receptor conformations [PDF]

Journal of the Serbian Chemical Society, 2011
An automated docking procedure was applied to study the binding of a series of m- and d-selective ligands to ligand-specific m- and d-opioid receptor models.
MILAN SENĆANSKI, MILOVAN D. IVANOVIĆ, SONJA VUČKOVIĆ, LJILJANA DOŠEN-MIĆOVIĆ   +3 more
doaj  

Identification of New N-methyl-piperazine Chalcones as Dual MAO-B/AChE Inhibitors

Pharmaceuticals, 2023
Monoamine oxidase-B (MAO-B), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) have been considered target enzymes of depression and neurodegenerative diseases, including Alzheimer’s disease (AD).
Ashraf K. El-Damasy, Jong Eun Park, Hyun Ji Kim, Jinhyuk Lee, Eun-Kyoung Bang, Hoon Kim, Gyochang Keum   +6 more
doaj   +1 more source

Modeling, Docking, and Simulation of the Major Facilitator Superfamily [PDF]

Biophysical Journal, 2006
X-ray structures are known for three members of the Major Facilitator Superfamily (MFS) of membrane transporter proteins, thus enabling the use of homology modeling to extrapolate to other MFS members. However, before employing such models for, e.g., mutational or docking studies, it is essential to develop a measure of their quality.
Holyoake, J, Caulfeild, V, Baldwin, SA, Sansom, MS   +3 more
openaire   +3 more sources

Synthesis and Evaluation of Phenyltriazole-Deoxynojirimycin Hybrids as Potent α-Glucosidase Inhibitors

Molecules
1-deoxynojirimycin (DNJ) is a well-known α-glucosidase inhibitor. A series of phenyltriazole-deoxynojirimycin hybrids containing C4 and C6 (4 and 6 methylenes, respectively) linkers were synthesized.
Lin Wang, Wei Luo, Yonghong Zhao, Xinling Guo, Xiangru Bai, Leilei Guo, Nailiang Zhu   +6 more
doaj   +1 more source

Study on the Interactions Between Caffeoylquinic Acids With Bovine Serum Albumin: Spectroscopy, Antioxidant Activity, LC-MSn, and Molecular Docking Approach

Frontiers in Chemistry, 2019
Clarified the binding mechanism of drugs with plasma proteins could provide fresh insights into the drug development. Caffeoylquinic acids (CQAs) are a kind of phenolic acid compounds which has extensive biological effects.
Qishu Jiao, Wei Zhang, Yanyan Jiang, Lijuan Jiang, Xiangyang Chen, Bin Liu   +5 more
doaj   +1 more source

Identification of a Novel Class of Anti-Melanogenic Compounds, (Z)-5-(Substituted benzylidene)-3-phenyl-2-thioxothiazolidin-4-one Derivatives, and Their Reactive Oxygen Species Scavenging Activities

Antioxidants, 2022
The rate-determining role of tyrosinase makes it a critical component in the mechanism that is responsible for melanogenesis. Thirteen (Z)-5-(substituted benzylidene)-3-phenyl-2-thioxothiazolidin-4-one ((Z)-BPTT) analogs were designed based on the ...
Yeongmu Jeong, Sojeong Hong, Hee Jin Jung, Sultan Ullah, YeJi Hwang, Heejeong Choi, Jeongin Ko, Jieun Lee, Pusoon Chun, Hae Young Chung, Hyung Ryong Moon   +10 more
doaj   +1 more source

Identification of Novel Antimicrobial Compounds Targeting Mycobacterium tuberculosis S-Adenosyl-L-Homocysteine Hydrolase Using Dual Hierarchical In Silico Structure-Based Drug Screening

Molecules
The emergence of multidrug-resistant and extensively drug-resistant Mycobacterium tuberculosis (M. tuberculosis) has become a major medical problem. S-adenosyl-L-homocysteine hydrolase (MtSAHH) was selected as the target protein for the identification of
Hazuki Ito, Kohei Monobe, Saya Okubo, Shunsuke Aoki   +3 more
doaj   +1 more source