Design, synthesis, docking, DFT, MD simulation studies of a new nicotinamide-based derivative: in vitro anticancer and VEGFR-2 inhibitory effects
A nicotinamide-based derivative was designed as an antiproliferative VEGFR-2 inhibitor
with the key pharmacophoric features needed to interact with the VEGFR-2 catalytic pocket …
with the key pharmacophoric features needed to interact with the VEGFR-2 catalytic pocket …
In vitro and computational investigations of novel synthetic carboxamide-linked pyridopyrrolopyrimidines with potent activity as SARS-CoV-2-M Pro inhibitors
An essential target for COVID-19 is the main protease of SARS-CoV-2 (Mpro). With the
objective of targeting this receptor, a novel set of pyrido [1, 2-a] pyrrolo [2, 3-d] pyrimidines …
objective of targeting this receptor, a novel set of pyrido [1, 2-a] pyrrolo [2, 3-d] pyrimidines …
Multi-step in silico discovery of natural drugs against COVID-19 targeting main protease
In continuation of our antecedent work against COVID-19, three natural compounds, namely,
Luteoside C (130), Kahalalide E (184), and Streptovaricin B (278) were determined as the …
Luteoside C (130), Kahalalide E (184), and Streptovaricin B (278) were determined as the …
Rumex vesicarius L. boosts the effectiveness of sorafenib in triple-negative breast cancer by downregulating BCl2, mTOR, and JNK, and upregulating p21 expression
Abstract Background/Aim Triple-negative breast cancer (TNBC) is characterized by poor
prognosis, rapid progression, serious clinical behavior, an elevated risk of metastasis, and …
prognosis, rapid progression, serious clinical behavior, an elevated risk of metastasis, and …
Sustainable approaches towards the synthesis of quinoxalines: An update
Heterocycles and their derivatives have been inspiring medicinal chemists to device novel,
greener and efficient ways to synthesized them as the majority of drugs available in the …
greener and efficient ways to synthesized them as the majority of drugs available in the …
A multistage in silico study of natural potential inhibitors targeting SARS-CoV-2 main protease
Among a group of 310 natural antiviral natural metabolites, our team identified three
compounds as the most potent natural inhibitors against the SARS-CoV-2 main protease …
compounds as the most potent natural inhibitors against the SARS-CoV-2 main protease …
The Assessment of Anticancer and VEGFR-2 Inhibitory Activities of a New 1H-Indole Derivative: In Silico and In Vitro Approaches
Corresponding to the reported features of anti-VEGFR-2-approved compounds, a new 1 H-
indole derivative (compound 7) was designed. The inhibitory potential of the designed …
indole derivative (compound 7) was designed. The inhibitory potential of the designed …
Design, synthesis, anti-proliferative evaluation, docking, and MD simulations studies of new thiazolidine-2, 4-diones targeting VEGFR-2 and apoptosis pathway
We report herein, the design and synthesis of thiazolidine-2, 4-diones derivatives as new
inhibitors for VEGFR-2. The designed members were assessed for their in vitro anticancer …
inhibitors for VEGFR-2. The designed members were assessed for their in vitro anticancer …
Modified benzoxazole-based VEGFR-2 inhibitors and apoptosis inducers: Design, synthesis, and anti-proliferative evaluation
This work is one of our efforts to discover potent anticancer agents. We modified the most
promising derivative of our previous work concerned with the development of VEGFR-2 …
promising derivative of our previous work concerned with the development of VEGFR-2 …
In Silico Exploration of Potential Natural Inhibitors against SARS-Cov-2 nsp10
In continuation of our previous effort, different in silico selection methods were applied to
310 naturally isolated metabolites that exhibited antiviral potentialities before. The applied …
310 naturally isolated metabolites that exhibited antiviral potentialities before. The applied …