Formula I SARS-CoV-2 Main Protease Inhibitors for Broad Coronavirus Activity

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Solution Overview

Problem

There is a need for compounds and methods to effectively treat and prevent viral infections, particularly those caused by coronaviruses, which mutate easily and can spread between animals and humans, leading to infectious-disease outbreaks.

Innovation Solution

Development of a compound of Formula (I) and its pharmaceutically acceptable salts, which can be used in pharmaceutical compositions to treat or prevent viral infections, including coronaviridae infections, by targeting specific molecular structures.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If conventional antiviral treatments are used, then viral infections can be treated, but coronaviruses mutate easily leading to treatment resistance and outbreaks

Engineering Contradiction:
Improvetreatment effectivenessVSAvoidviral mutation capacity
Core Design Contradiction:
ReliabilityVSAdaptability or versatility

Solution Approach 1:

The patent employs parameter changes by modifying chemical structures (Formula I compounds with varying R1, R2, R3, R4 substituents) to create multiple antiviral agents with different properties. This allows adaptation to different viral mutations while maintaining core inhibitory activity against SARS-CoV-2 main protease.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The compounds of Formula (I) are designed with a core structure that provides universal activity against coronaviruses, including SARS-CoV-2. The main protease inhibition mechanism is conserved across different viral strains, making the compound family broadly effective despite viral mutations.

Inventive Principle:
Principle #6Universality (Multi-functionality)

2Reliability

If new antiviral compounds are developed to target specific molecular structures, then treatment effectiveness improves, but development time and complexity increase

Engineering Contradiction:
Improvetreatment effectivenessVSAvoidcompound development time
Core Design Contradiction:
ReliabilityVSLoss of time

Solution Approach 1:

The patent segments the antiviral compound into a core structure (Formula I) and variable substituents (R1-R4 groups). This modular approach allows systematic optimization of different regions independently, accelerating development by focusing on key structural elements that provide both activity and drug-like properties.

Inventive Principle:
Principle #1Segmentation

Solution Approach 2:

The patent performs preliminary structure-activity relationship analysis by designing compounds with specific functional groups and structural features before full development. This preliminary optimization of the core structure and substituents reduces later development iterations and speeds up the path to effective antivirals.

Inventive Principle:
Principle #10Preliminary action

Data Source

PatentUS20250296936A1SARS-COV2 main protease inhibitors
Publication Date: 2025.09.25 GILEAD SCIENCES INC
  • US20250296936A1 patent drawing
  • US20250296936A1 patent drawing
  • US20250296936A1 patent drawing

AI summary

The present disclosure relates to compounds of Formula (I):and pharmaceutically acceptable salts thereof, pharmaceutical compositions thereof, useful in the treatment of treating viral infections, for example, coronaviridae infections.