DFT calculations on molecular structures, HOMO–LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin (IV) 2 …

VK Choudhary, AK Bhatt, D Dash… - Journal of …, 2019 - Wiley Online Library
The gas‐phase‐optimized geometry of newly synthesized and characterized diorganotin
(IV) 2‐chloridophenylacetohydroxamate complexes of composition [Me2Sn (HL) 2](I) and [n …

1, 2, 3-Triazoles of 8-hydroxyquinoline and HBT: Synthesis and studies (DNA binding, antimicrobial, molecular docking, ADME, and DFT)

N Nehra, RK Tittal, VD Ghule - ACS omega, 2021 - ACS Publications
A new series of 1, 2, 3-triazole hybrids containing either 2-or 4-hydroxyphenyl benzothiazole
(2-or 4-HBT) and naphthalen-1-ol or 8-hydroxyquinoline (8-HQ) was synthesized in high …

Novel 1, 3, 5-triazine-based pyrazole derivatives as potential antitumor agents and EFGR kinase inhibitors: Synthesis, cytotoxicity, DNA binding, molecular docking …

MS Raghu, CBP Kumar, MK Prashanth… - New Journal of …, 2021 - pubs.rsc.org
We herein report the design and synthesis of new 1, 3, 5-triazine-based pyrazole derivatives
(5a–i) with anticancer activity targeting the epidermal growth factor (EGFR) tyrosine kinase …

Cobalt and ruthenium complexes with pyrimidine based schiff base: Synthesis, characterization, anticancer activities and electrochemotherapy efficiency

ME Alkış, Ü Keleştemür, Y Alan, N Turan… - Journal of Molecular …, 2021 - Elsevier
In this study, a new Schiff base ligand and its two M (II) complexes [CoCl· L (H 2 O) 2]· 2H 2
O,[RuCl (p-cymene) L] were synthesized. The structural features were confirmed from their …

A new class of anticancer activity with computational studies for a novel bioactive aminophosphonates based on pyrazole moiety

MH Baren, SA Ibrahim, MM Al-Rooqi, SA Ahmed… - Scientific Reports, 2023 - nature.com
The present study involves synthesis a new series of α-aminophosphonates 2a-f and 4a-d
derivatives in good yield with a simple workup via Kabachnik-Fields reaction in the presence …

Synthesis, characterization, DFT and biological studies of isatinpicolinohydrazone and its Zn (II), Cd (II) and Hg (II) complexes

OA El-Gammal, TH Rakha, HM Metwally… - … Acta Part A: Molecular …, 2014 - Elsevier
Isatinpicolinohydrazone (H 2 IPH) and its Zn (II), Cd (II) and Hg (II) complexes have been
synthesized and investigated using physicochemical techniques viz. IR, 1 H NMR, 13 C …

Spectroscopic and theoretical studies on Cr (III), Mn (II) and Cu (II) complexes of hydrazone derived from picolinic hydrazide and O‐vanillin and evaluation of …

GAA Al‐Hazmi, KS Abou‐Melha… - Applied …, 2020 - Wiley Online Library
Trivalent Cr (III) and divalent of both Mn (II) and Cu (II) complexes containing hydrazone
ligands derived from the condensation of picolinohydrazide with O‐vanillin were …

Synthesis, characterization, antimicrobial and interaction studies of pteridines with human serum albumin: A combined multi-spectroscopic and computational study

MS Raghu, KY Kumar, K Veena, CBP Kumar… - Journal of Molecular …, 2022 - Elsevier
A novel series of pteridine derivatives (3a–e) was synthesized, and the structures of these
molecules were established using elemental analysis and numerous spectroscopic …

Ring opening ring closure reactions with 5, 9-diethyl-7-(chromon-3-yl)-7-hydroquinolino [3′, 4′: 5, 6] pyrano [3, 2-c] quinoline-6, 8 (5H, 9H)-dione with some 1, 2 …

AS Badran, A Ahmed, AI Nabeel, MA Ibrahim - Journal of Molecular …, 2024 - Elsevier
The chemical behaviour of electron deficient substrate 1 was investigated with some 1, 2-bi-
nucleophilic reagents. Reaction of substrate 1 with hydrazine derivatives namely hydrazine …

Nano-synthesis, characterization, theoretical, biological and catalytic studies of Mn (II), Cu (II), Cd (II), and Th (IV) complexes based on antipyrine azo dye ligand

AM Khedr, M Gaber, M Elsharkawy… - Journal of Molecular …, 2025 - Elsevier
The design and detailed characterization of the azo dye ligand obtained from the reaction of
4-aminoantipyrine diazonium salt with 3-hydroxybenzaldehyde (HL) and its novel metal …