Synthesis, Computational, and Anticancer In Vitro Investigations of Aminobenzylnaphthols Derived from 2-Naphtol, Benzaldehydes, and α-Aminoacids via the Betti …

M Kciuk, M Malinowska, A Gielecińska, R Sundaraj… - Molecules, 2023 - mdpi.com
Multicomponent reactions have emerged as an important approach for the synthesis of
diverse and complicated chemical compounds. They have various advantages over two …

Synthesis of naphthalimide derivatives bearing benzothiazole and thiazole moieties: In vitro anticancer and in silico ADMET study

PD JawalePatil, K Bhamidipati, MG Damale… - Journal of Molecular …, 2022 - Elsevier
Herein, we report the synthesis and characterization of 1–16 new naphthalimide derivatives.
These compounds 1–16 were tested for their anticancer activity against cancerous cells …

QSAR, docking, ADMET, and system pharmacology studies on tormentic acid derivatives for anticancer activity

S Alam, F Khan - Journal of Biomolecular Structure and Dynamics, 2018 - Taylor & Francis
To explore the anticancer compounds from tormentic acid derivatives, a quantitative
structure–activity relationship (QSAR) model was developed by the multiple linear …

Virtual expedition into nature's pharmacy: Unveiling promising anticancer compounds from Dendrophthoe falcata through in-silico exploration

S Kumar, SB Mehta, FB Zanchi, AK Verma… - Computational and …, 2024 - Elsevier
Cancer is a leading threatful disease worldwide. Research focused on natural compounds
for anticancer drugs has facilitated the identification of numerous medications presently …

DFT and In-silico Investigations, along with In-vitro Antitumor and Antimicrobial Assessments of Pharmacological Molecules

MH Alsehli, DS Seth, MSA El-Gaby… - Current Organic …, 2023 - ingentaconnect.com
Background: Molecules bearing an active methylene bridge are one of the most fruitful and
remarkable precursors that have been incorporated into the synthetic strategy of an …

Investigation on 5-Isopropyl-2-methylphenol via quantum chemicals, pharmacokinetics, molecular docking and cytotoxicity evaluation against breast cancer

K Chandran, A Zochedh, AB Sultan… - Journal of …, 2024 - ui.adsabs.harvard.edu
Abstract The 5-isopropyl-2-methylphenol (5IP2MP) molecule, a monoterpenoid phenol
mostly existing in the essential oil of Origanum vulgare L., was used as a potent breast …

Design, Synthesis, Biological Evaluation, and Molecular Docking Studies of 4‐Nitrobenzohydrazide Derivatives as Potential Anticancer Agents

VP Sajjan, PM Gurubasavaraj, D Patil… - …, 2023 - Wiley Online Library
A series of new acylhydrazone derivatives were synthesized from the condensation of
different substituted salicylaldehydes with 4‐nitrobenzohydrazide at a molar ratio of 1: 1 in a …

In Vitro and In Silico Studies on Benzimidazole‐Based Compounds

S Bouchekioua, S Akkoc, R Menacer - ChemistrySelect, 2024 - Wiley Online Library
Colon cancer remains a significant health concern, necessitating the synthesis of novel
therapeutic agents. Benzimidazole derivatives have shown promising anticancer potential …

The design and synthesis of potent benzimidazole derivatives via scaffold hybridization and evaluating their antiproliferative and proapoptotic activity against breast …

MS Elgawish, MS Nafie, ASA Yassen… - New Journal of …, 2022 - pubs.rsc.org
One of the current approaches used in drug discovery and development is the synthesis of
novel small compounds from existing structural motifs via molecular hybridization. In the …

Synthesis, in silico and in vitro studies of piperazinyl thiourea derivatives as apoptosis inducer for the treatment of colorectal carcinoma

PVS Sashankh, DP Dorairaj, JY Chen… - Journal of Molecular …, 2022 - Elsevier
A series of piperazine bearing thiourea compounds with different substitutions (L1-L13) was
synthesized for the treatment of colorectal carcinoma. The spectroscopic characterizations …