Synthesis molecular docking and DFT studies on novel indazole derivatives

Abstract

3-Carboxamide indazoles have been developed using the amide coupling process. Density function theory (DFT) computations, and the assessment of binding energy using Auto Dock, illustrate the pharmaceutical effectiveness.

New β-carboline derivatives containing imidazolium as potential VEGFR2 inhibitors: synthesis, X-ray structure, antiproliferative evaluations, and molecular modeling

Abstract

Herein we report novel multicomponent reactions for the synthesis of β-carboline-fused imidazolium derivatives via a Mannich-type reaction.

Design, synthesis, and characterization of novel 5-ethylsulfonyl-indazole-3-carboxamides as dual VEGFR-2 and EGFR inhibitors: apoptotic antiproliferative and immunomodulatory evaluations

Abstract

This study focused on the development of a novel series of 5-ethylsulfonyl-indazole-3-carboxamides (8a–l) as dual inhibitors of VEGFR-2 and EGFR. Compounds 8g and 8h emerged as the most potent derivatives against breast (MCF-7) and colorectal (HCT-116) cancer cell lines.

Double C–H bond functionalization for C–C coupling at the β-position of thiophenes using palladium-catalyzed 1,4-migration associated with direct arylation

Abstract

Palladium-catalyzed 1,4-migration associated with direct arylation is a new tool for C–H bond functionalization.

Novel benzimidazole hybrids: design, synthesis, mechanistic studies, antifungal potential and molecular dynamics

Abstract

The two designed compounds 11 and 12 showed significat antifungal activity supported by molecular studies.

CHAPTER 18
Synthetic Cannabinoid Receptor Agonists (SCRAs)