Delving into the Latest Updates on Mecripyrine Hydrochloride with Synapse

Overview

Basic Info

Drug Type

Small molecule drug

Synonyms

Target

AChE

Mechanism

AChE inhibitors(Acetylcholinesterase inhibitors)

Therapeutic Areas

NeoplasmsNervous System Diseases

Active Indication

Brain CancerAlzheimer DiseaseGlioma

Inactive Indication-

Originator Organization

Simcere Pharmaceutical Group Ltd.

Active Organization

Nanjing Ningdan New Drug Technology Co., Ltd.

Jiangsu Simcere Pharmaceutical Co., Ltd.

Yantai Yinuoyi Biomedical Technology Co., Ltd.

Inactive Organization-

Drug Highest PhasePhase 1

First Approval Date-

RegulationSpecial Review Project (CN)

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Structure

Molecular FormulaC24H28ClN3O2

InChIKeyJNWBZVZXAXDSGQ-UHFFFAOYSA-N

CAS Registry1442559-20-7

To evaluate the safety and tolerability of single/multiple dose escalation studies of Y-1 injection in patients with recurrent primary intracranial malignant tumors, determine the dose-limiting toxicity (DLT), maximum tolerated dose (MTD)/recommended dose (RD), and provide a basis for formulating dosing regimens in later clinical trials.

Start Date29 Aug 2023

Sponsor / Collaborator

Nanjing Ningdan New Drug Technology Co., Ltd.

ChiCTR1800016198 / RecruitingPhase 1IIT

A Single Ascending Dose Study to Assess the Safety, Tolerability, and Pharmacokinetics of Mecripyrine Hydrochloride Tablet

Start Date08 Apr 2018

Sponsor / Collaborator-

100 Clinical Results associated with Mecripyrine Hydrochloride

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100 Translational Medicine associated with Mecripyrine Hydrochloride

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100 Patents (Medical) associated with Mecripyrine Hydrochloride

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35

Literatures (Medical) associated with Mecripyrine Hydrochloride

09 Oct 2024·Journal of Agricultural and Food Chemistry

New Insights into the Structure–Activity Relationship of a Novel Immunomodulatory Peptide (HPHPHLSF) from Casein Hydrolyzed by Kluyveromyces marxianus JY-1: Molecular Docking, Interaction Evaluation, and HOMO Analysis

Article

Author: Jiang, Shujuan ; Tuo, Yanfeng ; Jiang, Yutong ; Jiang, Lai ; Mu, Guangqing ; Li, Siyi

Casein is rich in immunomodulatory peptides. In this study, the release of casein-derived immunomodulatory peptides by Kluyveromyces marxianus JY-1 was investigated for the first time, and an immunosuppressive mouse model was used to evaluate the immunomodulatory activity in the casein hydrolysate. The results showed that the cellular and humoral immunity of immunosuppressed mice could be significantly enhanced by casein hydrolysate. Peptide HPHPHLSF with high immunomodulatory activity from casein hydrolysate was screened using the virtual screening technique. HPHPHLSF possessed strong immunomodulatory activity and significantly upregulated the expression of IL-6, IL-1β, and TNF-α. Next, the interaction of HPHPHLSF with TLR2/4 on the cell surface of RAW264.7 cells was further elucidated by molecular docking and combined analysis of double-stranded small interfering RNA and receptor inhibitors. Further, the results of the highest occupied molecular orbital energy distribution elucidated that the histidine active site C₄₈═O₄₉ played an important role in the immunomodulatory activity of HPHPHLSF. This study confirmed that casein hydrolyzed by K. marxianus JY-1 was a natural immunomodulator, while the structure-activity relationship analysis provided new theoretical and technical support for the targeted preparation and screening of casein-derived immunomodulatory peptides.

01 Nov 2022·Bioorganic Chemistry

Design, synthesis, antiviral activity, and mechanisms of novel ferulic acid derivatives containing amide moiety

Article

Author: Yuan, Ting ; Wang, Zhengxing ; Gan, Xiuhai ; Lan, Shichao

To explore the novel compounds with high antiviral activity, three series ferulic acid derivatives containing amide moiety were gradually designed and synthesized based on antiviral activity tracking. The bioassay results exhibited that some target compounds had notable antiviral activities against tomato spotted wilt virus (TSWV) and cucumber mosaic virus (CMV). Compounds Y1, Y2, Y8, Z1 and Z2 presented splendid curative, protective, and inactivating activities to TSWV and CMV at 500 μg/mL. Especially, these compounds displayed outstanding inactivating effects on TSWV with the EC₅₀ values of 225.9, 126.1, 224.6, 216.1, and 147.3 μg/mL, which were superior to ningnanmycin (249.1 μg/mL) and ribavirin (315.7 μg/mL). Furthermore, the antiviral mechanisms of compound Y2 were investigated by conducting microscale thermophoresis experiment and molecular docking experiment. The results suggested that compound Y2 performed excellent binding affinity to TSWV coat protein (TSWV CP) with the binding constant of 2.14 μM, which due to two strong hydrogen bonds of compound Y2 to the key amino acids ARG94 of TSWV CP. Therefore, compound Y2 can be regarded as a leading structure for development of the potential antiviral agent.

20 Sep 2022·Briefings in Bioinformatics

ComABAN: refining molecular representation with the graph attention mechanism to accelerate drug discovery

Article

Author: Liu, Yao ; Yan, Huihui ; Sheng, Rong ; Xie, Yuanyuan ; Yuan, Leer

AbstractAn unsolved challenge in developing molecular representation is determining an optimal method to characterize the molecular structure. Comprehension of intramolecular interactions is paramount toward achieving this goal. In this study, ComABAN, a new graph-attention-based approach, is proposed to improve the accuracy of molecular representation by simultaneously considering atom–atom, bond–bond and atom-bond interactions. In addition, we benchmark models extensively on 8 public and 680 proprietary industrial datasets spanning a wide variety of chemical end points. The results show that ComABAN has higher prediction accuracy compared with the classical machine learning method and the deep learning-based methods. Furthermore, the trained neural network was used to predict a library of 1.5 million molecules and picked out compounds with a classification result of grade I. Subsequently, these predicted molecules were scored and ranked using cascade docking, molecular dynamics simulations to generate five potential candidates. All five molecules showed high similarity to nanomolar bioactive inhibitors suppressing the expression of HIF-1α, and we synthesized three compounds (Y-1, Y-3, Y-4) and tested their inhibitory ability in vitro. Our results indicate that ComABAN is an effective tool for accelerating drug discovery.

100 Deals associated with Mecripyrine Hydrochloride

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R&D Status

10 top R&D records.

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Indication	Highest Phase	Country/Location	Organization	Date
Brain Cancer	Phase 1	CN	Nanjing Ningdan New Drug Technology Co., Ltd.	29 Aug 2023
Alzheimer Disease	Phase 1	CN	Yantai Yinuoyi Biomedical Technology Co., Ltd.	08 Apr 2018
Alzheimer Disease	Phase 1	CN	Jiangsu Simcere Pharmaceutical Co., Ltd.	08 Apr 2018
Glioma	IND Application	CN	Nanjing Ningdan New Drug Technology Co., Ltd.	12 Jul 2023