Delving into the Latest Updates on Piritrexim with Synapse

Overview

Basic Info

Drug Type

Small molecule drug

Synonyms

Piritrexim isethionate

+ [2]

Target

DHFR

Action

inhibitors

Mechanism

DHFR inhibitors(Dihydrofolate reductase inhibitors)

Therapeutic Areas

NeoplasmsInfectious DiseasesUrogenital Diseases+ [2]

Active Indication-

Inactive Indication

Advanced Urothelial CarcinomaBladder CancerKaposi Sarcoma+ [2]

Originator Organization

GSK Plc

Active Organization-

Inactive Organization

Genzyme Corp.

Eastern Cooperative Oncology Group

National Cancer Institute

+ [1]

License Organization-

Drug Highest PhasePendingPhase 2

First Approval Date-

RegulationOrphan Drug (United States)

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Structure/Sequence

Molecular FormulaC17H19N5O2

InChIKeyVJXSSYDSOJBUAV-UHFFFAOYSA-N

CAS Registry72732-56-0

Author: Damayanti, Ratna ; Moses, Ikechukwu Benjamin ; Utama, Suzanita ; Ahmad, Riza Zainuddin ; Lisnanti, Ertika Fitri ; Rimayanti, Rimayanti ; Kusumarini, Shelly ; Mulyati, Sri ; Mustofa, Imam ; Kusala, Muhammad Khaliim Jati ; Wibowo, Syahputra ; Yanestria, Sheila Marty ; Wasito, Wasito ; Wardhani, Bantari Wisynu Kusuma ; Fauziah, Ima ; Hernawati, Tatik ; Khairullah, Aswin Rafif ; Kurniasih, Dea Anita Ariani ; Lestari, Tita Damayanti

The protozoan parasite Neospora caninum is the cause of the infectious disease neosporosis. N. caninum is now a major parasite that affects dogs and livestock all over the world. Cattle abortions are now most frequently caused by neosporosis, particularly in cattle raised in intensive agriculture. Many infections caused by N. caninum are mistakenly diagnosed as toxoplasmosis. For diagnosis, the indirect enzyme-linked immunosorbent assay (ELISA) and immunofluorescence antibody test (IFAT) are employed. N. caninum goes through three different stages in its life cycle: sprozoites, tachyzoites, and bradyzoites. The primary method of N. caninum transmission in cattle is thought to be transplacental. Dogs are the definitive host of N. caninum, and the organisms in dogs and cattle are indistinguishable from one another. A high prevalence of N. caninum infection in animals was linked to the presence of dogs on farms that tested positive for the parasite. Although exact statistics on the financial losses resulting from neosporosis in the global livestock sector are unavailable, losses are thought to be in the millions of dollars. A number of toxoplasmosis medications have been investigated against N. caninum. In infected cell cultures, piritrexim, monensin, pyrimethamine, lasalocid, and trimethoprim stop N. caninum from growing intracellularly. taking action to stop vertical transmission is the most practical way to control neosporosis in cattle herds, considering the current state of knowledge.

01 Feb 2024·Journal of Mathematical Chemistry

Identification of potential oral cancer drugs as Bcl-2 inhibitors from known anti-neoplastic agents through docking studies

Author: Pal, Debnath ; Raychaudhury, Chandan ; Srinivasan, Shreyaa

Oral Cancer is one of the major killers in India and of global concern.An attempt has been made here to identify small mol. inhibitors of Bcl-2 (B-cell lymphoma 2) protein through docking studies in search of new oral cancer drugs from a curated set of 276 known anti-neoplastic agents obtained from PubChem.The Bcl-2 protein (PDB id:6QGH), being complexed with ligand ABT-263, has been detached from the complex.The ligand-free protein and 276 compounds have been prepared for docking studies using corresponding tools available in Discovery Studio (DS), ver.4.1.The 276 compounds have been docked on the first site of the protein using LibDock docking program available in DS.By considering Methotrexate as the reference compound (LibDock score: 114.76), we have identified 25 compounds as the most potential oral cancer drugs having LibDock scores greater than 100.Another set of 114 compounds with LibDock scores between 80 and 100 have also been identified as the next set of potential drug candidates and some of them show anti-apoptosis properties.Two other compounds with LibDock scores below 80 have been identified for comparative analyses with some high-scoring compoundsThe docking results have been given in tables and pictures (screenshots) of the docked poses of selected compounds have been shown to illustrate the findings.Finally, the most suitable potential compounds have been identified by applying Lipinski′s Rule of 5.The present approach using known anti-neoplastic agents is believed to help discover potential anti-oral cancer drug candidates.

01 Jan 2021·Computational and Structural Biotechnology JournalQ3 · BIOLOGY

Docking-generated multiple ligand poses for bootstrapping bioactivity classifying Machine Learning: Repurposing covalent inhibitors for COVID-19-related TMPRSS2 as case study

Q3 · BIOLOGY

ArticleOA

Author: Hatmal, Ma'mon M ; Taha, Mutasem ; Abuyaman, Omar

In the present work we introduce the use of multiple docked poses for bootstrapping machine learning-based QSAR modelling. Ligand-receptor contact fingerprints are implemented as descriptor variables. We implemented this method for the discovery of potential inhibitors of the serine protease enzyme TMPRSS2 involved the infectivity of coronaviruses. Several machine learners were scanned, however, Xgboost, support vector machines (SVM) and random forests (RF) were the best with testing set accuracies reaching 90%. Three potential hits were identified upon using the method to scan known untested FDA approved drugs against TMPRSS2. Subsequent molecular dynamics simulation and covalent docking supported the results of the new computational approach.

100 Deals associated with Piritrexim

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External Link

KEGG	Wiki	ATC	Drug Bank
-	-	-	DB03695

R&D Status

10 top R&D records.

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Indication	Highest Phase	Country/Location	Organization	Date
Advanced Urothelial Carcinoma	Phase 2	South Africa	National Cancer Institute	15 Jul 1997
Advanced Urothelial Carcinoma	Phase 2	United States	Eastern Cooperative Oncology Group	15 Jul 1997
Advanced Urothelial Carcinoma	Phase 2	South Africa	Eastern Cooperative Oncology Group	15 Jul 1997
Advanced Urothelial Carcinoma	Phase 2	United States	National Cancer Institute	15 Jul 1997
Urethral Neoplasms	Phase 2	United States	National Cancer Institute	15 Jul 1997
Bladder Cancer	Phase 2	-	GSK Plc	-
Bladder Cancer	Phase 2	-	Genzyme Corp.	-
Kaposi Sarcoma	Phase 2	United States	-	-
Kaposi Sarcoma	Phase 2	-	GSK Plc	-
Kaposi Sarcoma	Phase 2	-	Genzyme Corp.	-

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Clinical Result

Indication

Phase

Evaluation

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Study	Phase	Population	Analyzed Enrollment	Group	Results	Evaluation	Publication Date


NCT00002914 (E3896, Pubmed \| Invest New Drugs)	Phase 2	Advanced Urothelial Carcinoma	-	Piritrexim	(emtmqjbvgp) = gkznaugchh mvrtbyjabq (ynjdrmmhxd )	Negative	01 Nov 2002