Discovery of novel pyrazole and pyrazolo[1,5‐a]pyrimidine derivatives as cyclooxygenase inhibitors (COX‐1 and COX‐2) using molecular modeling simulation

R Ayman, AM Radwan, AM Elmetwally… - Archiv der …, 2023 - Wiley Online Library
Searching for effective and selective anti‐inflammatory agents, our study involved designing
and synthesizing new pyrazole and pyrazolo [1, 5‐a] pyrimidine derivatives 4–11. The …

Synthesis, biological evaluations and in silico studies on pyrimidine-appended fused pyrazolones as anticancer and antimicrobial agents

S Mor, R Punia, M Khatri, D Kumar, A Kumar… - Journal of Molecular …, 2024 - Elsevier
A series of twenty-two new pyrimidine appended fused pyrazolones 6a‒k and 7a‒k has
been efficiently synthesized in good yields. Their structural characterization was achieved by …

[HTML][HTML] Synthesis, in silico ADMET prediction analysis, and pharmacological evaluation of sulfonamide derivatives tethered with pyrazole or pyridine as anti-diabetic …

NM Abdelazeem, WM Aboulthana, AS Hassan… - Saudi Pharmaceutical …, 2024 - Elsevier
Based on previous developments of our research programs in trying to find new compounds
with multiple biological targets such as antioxidant, anti-diabetic, anti-Alzheimer's, and anti …

Discovery of Pyrano[2,3-c]pyrazole Derivatives as Novel Potential Human Coronavirus Inhibitors: Design, Synthesis, In Silico, In Vitro, and ADME Studies

AK Allayeh, AH El-Boghdady, MA Said, MGA Saleh… - Pharmaceuticals, 2024 - mdpi.com
The SARS-CoV-2 pandemic at the end of 2019 had major worldwide health and economic
consequences. Until effective vaccination approaches were created, the healthcare sectors …

Molecular Investigations of Novel Pyrano [2, 3-c] Pyrazole Congeners as Potential HCoV-229E Inhibitors: synthesis, Molecular Modeling, 3D QSAR, and ADMET …

M G. Abouelenein, A H. El-boghdady… - Polycyclic Aromatic …, 2024 - Taylor & Francis
The ongoing global pandemic caused by viral pathogens like SARS-CoV-2 (COVID-19)
underscores that viral transmission is not confined by geographical boundaries. Thus, the …

Design, synthesis, α-amylase and glucose diffusion inhibition, and molecular docking studies of new indenopyrazolones bearing benzothiazole derivatives

R Punia, S Mor, S Sindhu, D Kumar, PP Das… - Bioorganic & Medicinal …, 2024 - Elsevier
An eco-friendly facile synthesis of a series of twenty 1-(4/6-substitutedbenzo [d] thiazol-2-yl)-
3-(phenyl/substitutedphenyl) indeno [1, 2-c] pyrazol-4 (1H)-ones 7a–t was achieved by the …

Copper supported modified magnetic carrageenan as a bio-based catalyst for the synthesis of novel scaffolds bearing the 1, 2, 3-triazole unit through the click reaction

N Khaleghi, M Esmkhani, M Noori, N Dastyafteh… - Nanoscale …, 2024 - pubs.rsc.org
The ongoing work delineates the design of a novel library of 1, 2, 3-triazole-attached
phenylacetamides through molecular hybridization of propargyl and phenylacetamide …

Facile synthesis and in silico studies of benzothiazole-linked hydroxypyrazolones targeting α-amylase and α-glucosidase

R Punia, S Mor, M Khatri, D Kumar, PP Das… - Future Medicinal …, 2024 - Taylor & Francis
Aim: The objective of the present investigation was to design and synthesize new
heterocyclic hybrids comprising benzothiazole and indenopyrazolone pharmacophoric units …

Synthesis and in vitro antimicrobial evaluation of benzothiazolylindenopyrazoles

S Mor, M Khatri, R Punia, K Jakhar - Medicinal Chemistry Research, 2023 - Springer
In the present study, a series of benzothiazolylindenopyrazoles 5a‒o has been efficiently
synthesized by refluxing a solution of 2-(3-substitutedbenzoyl)-(1 H)-indene-1, 3 (2 H) …

Estimation of Secondary Metabolites, Nutrients, Minerals, and Anti‐Inflammatory and Antidiarrheal Agents in Heliotropium rariflorum Stocks at Two Phenological …

NU Uza, G Dastagir, I Ahmad, S Ullah… - Chemistry & …, 2025 - Wiley Online Library
The medicinal value of plants depends on minerals and nutrients and their complexation
with chemotherapeutic compounds. The present study aimed to evaluate the phytochemical …