Synthesis, In-Silico, In Vitro and DFT Assessments of Substituted Imidazopyridine Derivatives as Potential Antimalarials Targeting Hemoglobin Degradation Pathway.

OO Ferreira, SN Mali, B Jadhav… - Journal of …, 2023 - search.ebscohost.com
Malaria is a serious illness transmitted through the bite of an infected mosquito, which is
caused by a type of parasite called plasmodium and can be fatal if left untreated. Thus …

[PDF][PDF] Electrochemical, surface analysis, computational and anticorrosive studies of novel naphthalene derivative on carbon steel surface

E Akroujai, S Chetioui, N Benzbiria… - Int J Corros Scale …, 2023 - researchgate.net
In the present research, the inhibitive potency of (E)-1-(phenyldiazenyl) naphthalen-2-ol
(EPNO) for carbon steel (CS) in molar HCl acid was investigated using potentiodynamic …

Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-N-(2-quinolylmethylene)aminophenol

S Gai, L He, M He, X Zhong, C Jiang, Y Qin, M Jiang - Molecules, 2023 - mdpi.com
Developing a new generation of anticancer metal-based drugs that can both kill tumor cells
and inhibit cell migration is a promising strategy. Herein, we synthesized three Cu (II), Zn (II) …

Unveiling Anti‐malarial, Antimicrobial, Antioxidant Efficiency and Molecular Docking Study of Synthesized Transition Metal Complexes Derived From Heterocyclic …

M Rani, J Devi, B Kumar, M Rathi - Chemistry–An Asian Journal, 2024 - Wiley Online Library
Malaria, a persistent and ancient adversary, continues to impact vast regions worldwide,
afflicting millions and severely affecting human health and well‐being. Recently, despite …

In silico anticancer activity of isoxazolidine and isoxazolines derivatives: DFT study, ADMET prediction, and molecular docking

MD Mellaoui, K Zaki, K Abbiche, A Imjjad… - Journal of Molecular …, 2024 - Elsevier
This study presents a comprehensive analysis of six isoxazolidine and isoxazoline
derivatives, employing a multifaceted approach that integrates Density Functional Theory …

DFT and molecular simulation validation of the binding activity of PDEδ inhibitors for repression of oncogenic k-Ras

TA Majrashi, A Sabt, H Almahli, MA El Hassab… - Plos one, 2024 - journals.plos.org
The development of effective drugs targeting the K-Ras oncogene product is a significant
focus in anticancer drug development. Despite the lack of successful Ras signaling …

[PDF][PDF] EH Akroujai, S. Chetioui, 2, 3 N. Benzbiria, 4 A. Barrahi, 5 A. Chraka, 6 A. Djedouani, 7, 8 S. Chtita, 9 S. Lazar, 10 I. Warad, 11 A. Bellaouchou, 5 M. Assouag1 …

A Chraka - Int. J. Corros. Scale Inhib, 2023 - researchgate.net
In the current paper, potentiodynamic polarization (PDP), electrochemical impedance
spectroscopy (EIS) were employed to evaluate (E)-1-((4-fluorophenyl) diazenyl) naphthalen …

Metal Complexes of a Thiosemicarbazone with Heterocyclic Bases as Coligands: Spectral Characterization, Crystal Structures, DFT and In silico Docking Studies

NA Mathews, M Sithambaresan, S Kaya… - Journal of Chemical …, 2024 - Springer
Copper (II) and zinc (II) complexes,[Cu (esct)(4-pico)](1),[Zn (esct)(5, 5′-dmbipy)]· H2O
(2),[Cu (esct)(5, 5′-dmbipy)](3),(where H2esct= 3-ethoxysalicylaldehye-N4 …