Delving into the Latest Updates on Ciluprevir with Synapse

Overview

Basic Info

Drug Type

Small molecule drug

Synonyms

Ciluprevir (USAN/INN)

+ [2]

Target

NS3

Action

inhibitors

Mechanism

NS3 inhibitors(Hepatitis C virus (HCV) nonstructural protein 3 inhibitors)

Therapeutic Areas

Infectious DiseasesDigestive System Disorders

Active Indication

Hepatitis C

Inactive Indication

FibrosisHepatitis C, ChronicLiver Cirrhosis

Originator Organization

C.H. Boehringer Sohn AG & Co. KG

Active Organization

Boehringer Ingelheim GmbH

Inactive Organization-

Drug Highest PhasePreclinical

First Approval Date-

Regulation-

Login to view timeline

Structure/Sequence

Molecular FormulaC40H50N6O8S

InChIKeyPJZPDFUUXKKDNB-KNINVFKUSA-N

CAS Registry300832-84-2

Safety, Tolerance, and Pharmacokinetics of Single Oral Doses of 5 mg, 20 mg, 60 mg, 100 mg, 200 mg, 400 mg, 600 mg, 800 mg, 1000 mg, 1200 mg, 1500 mg, 2000 mg and 2400 mg BILN 2061 ZW (PEG 400: Ethanol Solution) in Healthy Male Subjects, Combined With Preliminary Evaluation of Food Effect of the Dose of 200 mg (Two-Stage Trial Design With Randomised Double Blind Placebo Controlled Rising Dose Part and Subsequent Open Intraindividual Comparison Part)

To assess the safety, tolerance and pharmacokinetics of 5 mg to 2400 mg BILN 2061 ZW
In rising single doses
With and without a 64 g fat breakfast at one selected dose

Start Date01 Jun 2001

Sponsor / Collaborator

Boehringer Ingelheim GmbH

100 Clinical Results associated with Ciluprevir

Login to view more data

100 Translational Medicine associated with Ciluprevir

Login to view more data

100 Patents (Medical) associated with Ciluprevir

Login to view more data

159

Literatures (Medical) associated with Ciluprevir

08 Mar 2022·Journal of Chemical Education

Catalysis in Modern Drug Discovery: Insights from a Graduate Student-Taught Undergraduate Course

Author: Knapp, Rachel R. ; Chari, Jason V. ; Garg, Neil K. ; Boit, Timothy B.

A course centered around transition metal catalysis in modern drug discovery was designed to illustrate the central role of organic chem. in driving small mol. drug development.The course highlighted both fundamental and applied concepts, first with a focus on the drug discovery process, followed by foundational principles in catalysis and modern catalytic methods.Finally, these topics were unified in the last portion of the course, where case studies served to highlight the use of transition metal catalysis in the synthesis of modern drugs.Three graduate students designed and taught the course, with mentorship from a faculty member, leading to several notable teaching outcomes.Addnl., experts in the fields of catalysis and drug discovery served as guest lecturers throughout the duration of the course.This approach spotlighted the various careers that organic chemists play in the development of new medicines.We hope that this course motivates the creation of other courses in STEM that highlight fundamental concepts, applications, and career outcomes.

21 Jun 2021·Chemical Research in ToxicologyQ3 · MEDICINE

Reactive Metabolites from Thiazole-Containing Drugs: Quantum Chemical Insights into Biotransformation and Toxicity

Q3 · MEDICINE

Article

Author: Khatun, Samima ; Bharatam, Prasad V. ; Jaladanki, Chaitanya K. ; Gohlke, Holger

Drugs containing thiazole and aminothiazole groups are known to generate reactive metabolites (RMs) catalyzed by cytochrome P450s (CYPs). These RMs can covalently modify essential cellular macromolecules and lead to toxicity and induce idiosyncratic adverse drug reactions. Molecular docking and quantum chemical hybrid DFT study were carried out to explore the molecular mechanisms involved in the biotransformation of thiazole (TZ) and aminothiazole (ATZ) groups leading to RM epoxide, S-oxide, N-oxide, and oxaziridine. The energy barrier required for the epoxidation is 13.63 kcal/mol, that is lower than that of S-oxidation, N-oxidation, and oxaziridine formation (14.56, 17.90, and 20.20, kcal/mol respectively). The presence of the amino group in ATZ further facilitates all the metabolic pathways, for example, the barrier for the epoxidation reaction is reduced by ∼2.5 kcal/mol. Some of the RMs/their isomers are highly electrophilic and tend to form covalent bonds with nucleophilic amino acids, finally leading to the formation of metabolic intermediate complexes (MICs). The energy profiles of these competitive pathways have also been explored.

21 Jun 2021·Combinatorial Chemistry & High Throughput ScreeningQ4 · MEDICINE

The Antiviral and Antimalarial Drug Repurposing in Quest of Chemotherapeutics to Combat COVID-19 Utilizing Structure-Based Molecular Docking

Q4 · MEDICINE

Article

Author: Saxena, Mridula ; Saxena, Anil Kumar ; Nandi, Sisir ; Kumar, Mohit

Background:The novel coronavirus disease (COVID-19) is caused by a new strain (SARS-CoV-2) that erupted in 2019. Nowadays, it is a great threat that claims uncountable lives worldwide. There is no specific chemotherapeutics developed yet to combat COVID-19. Therefore, scientists have been devoted to the quest of the medicine that can cure COVID-19.Objective:Existing antivirals, such as ASC09/ritonavir, lopinavir/ritonavir with or without umifenovir in combination with antimalarial chloroquine or hydroxychloroquine, have been repurposed to fight the current coronavirus epidemic. Exact biochemical mechanisms of these drugs towards COVID-19 have not been discovered to date.Method:In-silico molecular docking can predict the mode of binding to sort out the existing chemotherapeutics having a potential affinity towards inhibition of the COVID-19 target. An attempt has been made in the present work to carry out docking analyses of 34 drugs, including antivirals and antimalarials, to explain explicitly the mode of interactions of these ligands towards the COVID-19protease target.Results:13 compounds having good binding affinity have been predicted towards protease binding inhibition of COVID-19.Conclusion:Our in silico docking results have been confirmed by current reports from clinical settings through the citation of suitable experimental in vitro data available in the published literature.

100 Deals associated with Ciluprevir

Login to view more data

External Link

KEGG	Wiki	ATC	Drug Bank
D03501	Ciluprevir	-	DB05868

R&D Status

10 top R&D records.

Login

to view more data

Indication	Highest Phase	Country/Location	Organization	Date
Hepatitis C	Preclinical	Canada	Boehringer Ingelheim GmbH	02 Mar 2004
Fibrosis	Preclinical	-	Boehringer Ingelheim GmbH	01 Sep 2002
Hepatitis C, Chronic	Preclinical	-	Boehringer Ingelheim GmbH	01 Sep 2002
Liver Cirrhosis	Preclinical	-	Boehringer Ingelheim GmbH	01 Sep 2002