Medicinal significance of sp2/sp3 hybridized at C-3-substituted indole-containing lead molecules and FDA-approved drugs

M Faiyyaz, A Tiwari, N Bashir, M Nasibullah… - Medicinal Chemistry …, 2024 - Springer
Herein, the privilege in favor of biological importance of indole-containing scaffolds related
to the semi-synthetic and extracted from natural sources is summarized. Such compounds …

A Perspective of the Amide Group Containing FDA Approved Anticancer Drugs from 2021–2022 (A Review)

M Asif, R Srivastava, A Fatima, M Shakeel… - Russian Journal of …, 2023 - Springer
In this review, we describe a collection and assessment of 16 anticancer drugs approved by
the US FDA between 2021 to June 2022, which include small and big amide group …

Evaluation of N80 Carbon Steel Corrosion in 15 wt.% HCl Using Isatin-hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and …

AA Mansour, AEA Allah, H Lgaz, M Messali… - Journal of Molecular …, 2025 - Elsevier
The adverse effects of corrosion on industrial metals, particularly N80 carbon steel under
acidic conditions, call for develo** effective corrosion inhibitors. Due to their structural and …

Indolin-2-one derivatives as corrosion inhibitors: Structural insights and evaluation through experimental and computational techniques

AA Mansour, H Lgaz, AEA Allah, JM Jang… - Journal of Molecular …, 2024 - Elsevier
Effective corrosion management is a pivotal challenge facing various industries and holds
crucial importance in aligning industrial processes with sustainability goals. This study …

Investigation of substituent effects on the electronic structure and antiviral activity of favipiravir derivatives for Covid-19 treatment using DFT and molecular docking

DF Tegegn, HZ Belachew, HF Etefa, AO Salau - Scientific Reports, 2024 - nature.com
In this study, Density-functional theory/Time-dependent density-functional theory
(DFT/TDDFT) and Molecular docking method was used to investigate the effect of methyl …

Synthesis, characterization, pharmaceutical evaluation, molecular docking and DFT calculations of a novel drug (E)-5-bromo-3-(phenylimino) indolin-2-one

AH Shamina, VB Jothy, M Asif, M Nasibullah… - Journal of Molecular …, 2023 - Elsevier
Herein, one-pot synthesis of (E)-5-bromo-3-(phenylimino) indolin-2-one (5BPI molecule),
density function theory for validation of the synthesized molecule, and biological activities …

Importance of solvent roles in molecular, electronic and dynamical properties, thermodynamic quantities, Mulliken charges, reactive analysis and molecular docking of …

M Lawrence, P Rajesh, A Irfan, S Muthu - Journal of Molecular Liquids, 2023 - Elsevier
Abstract The 2-Bromo-1H-imidazole-4, 5-dicarbonitrile (2B1HID) molecule is studied by
quantum mechanical and vibrational spectroscopic methods. Atoms In Molecules (AIM) was …

[HTML][HTML] Comprehensive analysis of (E)-3-(4-chlorophenyl)-1-(4-methoxyphenyl) prop-2-en-1-one (4CP4MPO): synthesis, Spectroscopic, salvation electronic …

PR Buvaneswari, MSJS Raj, K Sudha, T Aravind… - Chemical Physics …, 2024 - Elsevier
The investigation into a prospective pharmaceutical chalcone derivative employs a
comprehensive methodology, integrating theoretical and empirical analyses. Rigorous …