AChE inhibitors(Acetylcholinesterase inhibitors), amylin inhibitors(Islet amyloid polypeptide inhibitors), σ1 receptor antagonists(Sigma opioid receptor antagonists)

Therapeutic Areas

Nervous System Diseases

Active Indication-

Inactive Indication

Alzheimer Disease

Originator Organization

Samaritan LLC

Active Organization-

Inactive Organization

Samaritan LLC

Eurofins Advinus Ltd.

Drug Highest PhasePendingPhase 1

First Approval Date-

Regulation-

Structure

Molecular FormulaC33H52O4

InChIKeyVMOZFSWFUBLCNN-AAPULDEBSA-N

CAS Registry4952-56-1

100 Clinical Results associated with Caprospinol

100 Translational Medicine associated with Caprospinol

100 Patents (Medical) associated with Caprospinol

Literatures (Medical) associated with Caprospinol

01 Oct 2024·Current Pharmaceutical Design

Design of Novel Imidazole Derivatives as Potential Non-nucleoside Reverse Transcriptase Inhibitors Using Molecular Docking and Dynamics Strategies

Article

Author: Chandra, Priyanka ; Deb, Pran Kishore ; Ghosh, Manik ; Ganguly, Swastika

Introduction:Human Immunodeficiency Virus (HIV) has become an epidemic causing Acquired Immunodeficiency Syndrome (AIDS). Highly active antiretroviral therapy (HAART) consists of Nucleoside Reverse Transcriptase Inhibitors (NRTIS), Nucleotide Reverse Transcriptase Inhibitors (NtRTIS), and Non- Nucleoside Reverse Transcriptase Inhibitors (NNRTIS) with HIV Protease Inhibitors (HIV PIs). However, the emergence of resistant strains of NNRTIS necessitates the search for better HIV-1-RT inhibitors.Methods:In this study, a series of novel imidazoles (SP01-SP30) was designed using molecular docking inside the non-nucleoside inhibitory binding pocket (NNIBP) of the HIV-1-RT (PDB ID-1RT2) using Glide v13.0.137, Autodock Vina, and FlexX v2.1.3. Prime MMGBSA was used to study the free energy of binding of the inhibitors with the target enzyme. Molecular dynamics simulation studies were carried out to discover the dynamic behavior of the protein as well as to unveil the role of the essential amino acids required for the better binding affinity of the inhibitor within the NNIBP of the enzyme. The QikProp software module of Schrodinger and online SwissADME were also used to evaluate the drug-likeliness of these compounds.Results:The imidazole derivative SP08 is predicted to be the most promising design compound that can be considered for further synthetic exploitations to obtain a molecule with the highest therapeutic index against HIV-1-RT.Conclusion:The results of the current study demonstrate the robustness of our in-silico drug design strategy that can be used for the discovery of novel HIV-1-RT inhibitors.

01 Feb 2020·European Journal of Medicinal Chemistry

Design, synthesis and evaluation of diosgenin carbamate derivatives as multitarget anti-Alzheimer’s disease agents

Article

Author: Huang, Yan ; Zheng, Lu-Lu ; Huang, Jin ; Yang, Gui-Xiang ; Wu, Yu-Hang ; Zhang, Li ; Zhou, Li-Cheng ; Tang, Yun ; Wang, Rui ; Su, Lin ; Li, Jie ; Ma, Lei

In order to produce an effective and multi-targeted clinical drug that could prevent progressive neurodegeneration, a series of diosgenin carbamate derivatives were designed, synthesized and tested for their anti-inflammatory, antioxidant and anti-Aβ activities. The results demonstrated that compound M15 was the most promising derivative against inflammatory (NO inhibition 22.7 ± 2.2%,10 μM) and cellular damage induced by H₂O₂ (SH-SY5Y cell protection = 75.3 ± 3.4%, 10 μM) or Aβ (astrocytes protection = 70.2 ± 6.5%, 10 μM). Molecular docking studies revealed the strong binding affinity of M15 to the active site of nNOS, Aβ₄₂ and pro-inflammatory proteins. Western blot demonstrated that M15 decreased IL-1β, IL-6 and TNF-α level, which may contribute to its anti-inflammatory effects. In addition, M15 maintained mitochondrial function as well as cell viability through reducing H₂O₂-induced ROS production. The results indicated that oral administration of M15 attenuated memory deficits and played a neuroprotective effect on subcutaneous (s.c.) D-gal aging mice. In summary, M15 could be considered as a potential multifunctional neuroprotective agent due to the effects of anti-inflammatory, antioxidant and anti-Aβ activities.

01 Aug 2018·European Journal of Medicinal ChemistryQ1 · MEDICINE

Design, synthesis and biological evaluation of 3-piperazinecarboxylate sarsasapogenin derivatives as potential multifunctional anti-Alzheimer agents

Q1 · MEDICINE

Article

Author: Ge, Song-Lan ; Huang, Jin ; Yang, Gui-Xiang ; Li, Shi-Liang ; Ma, Lei ; Wang, Rui ; Wu, Yan

A series of multifunctional 3-piperazinecarboxylate sarsasapogenin derivatives were designed and synthesized against Alzheimer's disease (AD). The protection against H₂O₂-triggered oxidative stress in PC12 cells, and inhibition on LPS-induced NO production in RAW264.7 cell lines in vitro by these derivatives were firstly evaluated. Most of the compounds showed better antioxidant and antiinflammatory activities compared with sarsasapogenin, especially AA34 and AA36. Structure-activity relationships revealed that benzyl group, electron-donating group and intramolecular hydrogen bond might be beneficial to enhancing their neuroprotective activities. Moreover, Aβ42 was the optimum predicted target based on the high 3D molecular similarity between compound AA36 and caprospinol. In the following experiments, AA36 significantly protected PC12 cells from Aβ-induced damage and improved learning and memory impairments in Aβ-injected mice. Thus AA36 is regarded as a potent anti-AD agent and N-substituted piperazinecarboxylate can be served as a promising structural unit for anti-AD drug design.

100 Deals associated with Caprospinol

External Link

KEGG	Wiki	ATC	Drug Bank
-	-	-	DB05263

R&D Status

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Indication	Highest Phase	Country/Location	Organization	Date
Alzheimer Disease	Phase 1	-	Eurofins Advinus Ltd.	-
Alzheimer Disease	Phase 1	-	Samaritan LLC	-

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