Synthesis, In Vitro Biological Investigation, and In Silico Analysis of Pyrazole-Based Derivatives as Multi-target Agents

Abstract

The diseases-related complications and causes are threaded. Accordingly, the preparation of one drug with multiple targets is very pressing. In this context, the three series of pyrazole-based derivatives 7a-c, 9a-c, and 11a-c were designed and synthesized by using 5-amino-pyrazoles 3a-c as starting materials. The structures of various products 7a-c, 9a-c, and 11a-c were characterized by using various devices (elemental analysis and spectral tools). The biological activities of pyrazolebased products 7a-c, 9a-c, and 11a-c were estimated as antioxidant, anti-diabetic, anti-Alzheimer, and anti-arthritic. The estimation results showed that the two products 7c and 11a displayed powerful biological activities. In silico analysis (physicochemical, drug-likeness, and toxicity properties) of the two products 7c and 11a was performed. This research could be valuable for the exploration of one drug with multiple targets.

Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic and anti-Alzheimer's agents

“…The physicochemical properties, lipophilicity, and drug-likeness of the more potent derivatives 15a and 15b were computed by utilizing the SwissADME online server ( http://www.swissadme.ch/ ) ( Hassan and Aboulthana, 2023 ) (accessed on 14 October 2023). Also, the drug-likeness model score of the two derivatives 15a and 15b was expected by employing the Molsoft online server ( https://molsoft.com/mprop/ ) ( Gad et al, 2020 ) (accessed on 14 October 2023).…”

“…Currently, several scientific studies have established the relationship between diabetes mellitus (DM) and Alzheimer's disease (AD) in terms of causes and complications ( Hassan et al, 2023a , Hassan and Aboulthana, 2023 , Hassan et al, 2023b , Alkahtani et al, 2023 ). In the context of this disease relationship, researchers are designing and developing new candidates in the hope of finding a new compound with multiple biological targets, such as anti-diabetic and anti-Alzheimer's agents.…”

“…Finally, our previous studies in 2023 referred to the preparation of new compounds with distinguishable biological activities, such as antioxidant, anti-diabetic, anti-Alzheimer, and anti-arthritic agents ( Hassan et al, 2023a , Hassan and Aboulthana, 2023 , Hassan et al, 2023b , Alkahtani et al, 2023 ).…”

In vitro biological studies and computational prediction-based analyses of pyrazolo[1,5-a]pyrimidine derivatives

“… 68 Hassan and Aboulthana suggested that these synthetic derivatives may belong to hypoglycemic substances, which could be caused by two different mechanisms: either by stimulating sugar-induced insulin secretion or by improving peripheral glucose intake. 50 …”

Exploring the Potential Biological Activities of Pyrazole-Based Schiff Bases as Anti-Diabetic, Anti-Alzheimer’s, Anti-Inflammatory, and Cytotoxic Agents: In Vitro Studies with Computational Predictions

“…During the current study, the scavenging activity was assessed by calculating the IC 50 values of DPPH and the inhibition percentages of ABTS radicals. The compounds with a higher antioxidant activity were found to have lower IC 50 values of DPPH and a higher inhibition percentage against ABTS radicals [40]. It was found that the ABTS assay is more sensitive than the DPPH assay, because the DPPH radical is only involved in hydrogen (H + ) transfer (DPPH to DPPH-H), while the ABTS radical is involved in the electron transfer pathway (ABTS to ABTS + ) [41].…”