In silico Methods for Design of Kinase Inhibitors as Anticancer Drugs

Z Gagic, D Ruzic, N Djokovic, T Djikic… - Frontiers in …, 2020 - frontiersin.org
Rational drug design implies usage of molecular modeling techniques such as
pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to …

Topical advances in PIM kinases and their inhibitors: Medicinal chemistry perspectives

V Walhekar, C Bagul, D Kumar, A Muthal… - … et Biophysica Acta (BBA …, 2022 - Elsevier
Cytosolic PIM kinases are the members of serine/threonine family play a crucial role in the
cancer progression and development. Overexpression of PIM kinases is observed in various …

Design, synthesis, antineoplastic activity of new pyrazolo [3, 4-d] pyrimidine derivatives as dual CDK2/GSK3β kinase inhibitors; molecular docking study, and ADME …

MTM Nemr, A Elshewy, ML Ibrahim, AM El Kerdawy… - Bioorganic …, 2024 - Elsevier
In the current study, novel pyrazolo [3, 4-d] pyrimidine derivatives 5a–h were designed and
synthesized as targeted anti-cancer agents through dual CDK2/GSK-3β inhibition. The …

Tailored horseshoe-shaped nicotinonitrile scaffold as dual promising c-Met and Pim-1 inhibitors: Design, synthesis, SAR and in silico study

S Mohamady, AF Khalil, BH Naguib, MS Nafie… - Bioorganic …, 2024 - Elsevier
For the horseshoe tactic to succeed in inhibiting c-Met and Pim-1, the nicotinonitrile
derivatives (2a-n) were produced in high quantities by coupling acetyl phenylpyrazole (1) …

New thiophene, thienopyridine and thiazoline-based derivatives: Design, synthesis and biological evaluation as antiproliferative agents and multitargeting kinase …

ZM Alamshany, NY Tashkandi, IMM Othman… - Bioorganic …, 2022 - Elsevier
Multitargeting kinase inhibitors recently proved to be a profitable approach for conquering
cancer proliferation. The current study represents the design and synthesis of new …

A decade's overview of 2‐aminothiophenes and their fused analogs as promising anticancer agents

DG Darwish, HAM El‐Sherief… - Archiv der …, 2024 - Wiley Online Library
Over the past decades, cancer has been a challenging domain for medicinal chemists as it
is an international health concern. In association, small molecules such as 2 …

Design, synthesis, anticancer evaluation, and in silico studies of some thieno[2,3‐d]pyrimidine derivatives as EGFR inhibitors

MTM Sayed, PA Halim, AK El‐Ansary… - Drug Development …, 2023 - Wiley Online Library
Abstract New series of 20 thieno [2, 3‐d] pyrimidine derivatives have been synthesized. The
National Cancer Institute evaluated all the newly synthesized compounds for their …

Design, synthesis, anticancer evaluation and molecular modeling of novel estrogen derivatives

AEGE Amr, EA Elsayed, MA Al-Omar, HO Badr Eldin… - Molecules, 2019 - mdpi.com
A series of estrone derivatives 3–8 was designed and synthesized using estrone
arylmethylenes 2a, b as starting materials and their structures were confirmed by different …

Development of new steroid-based hydrazide and (thio) semicarbazone compounds with anticancer properties

ÐD Janković, TL Šestić, SS Bekić, MP Savić… - The Journal of Steroid …, 2024 - Elsevier
Most breast and prostate cancers are caused by abnormal production or action of steroidal
hormones. Hormonal drugs based on steroid scaffolds represent a significant class of …

Design and synthesis of a novel mitochondria-targeted osteosarcoma theranostic agent based on a PIM1 kinase inhibitor

X Yi, Z Cao, Y Yuan, W Li, X Cui, Z Chen, X Hu… - Journal of Controlled …, 2021 - Elsevier
Osteosarcoma (OS) is the most common malignancy of the skeletal system, with a poor
prognosis and high rate of recurrence. Adequate surgical margin and adjuvant …