Drug design by pharmacophore and virtual screening approach
D Giordano, C Biancaniello, MA Argenio, A Facchiano - Pharmaceuticals, 2022 - mdpi.com
Computer-aided drug discovery techniques reduce the time and the costs needed to
develop novel drugs. Their relevance becomes more and more evident with the needs due …
develop novel drugs. Their relevance becomes more and more evident with the needs due …
Recent progress on vascular endothelial growth factor receptor inhibitors with dual targeting capabilities for tumor therapy
Y Liu, Y Li, Y Wang, C Lin, D Zhang, J Chen… - Journal of Hematology & …, 2022 - Springer
Vascular endothelial growth factor receptors (VEGFRs) are a family of receptor protein
tyrosine kinases that play an important role in the regulation of tumor-induced angiogenesis …
tyrosine kinases that play an important role in the regulation of tumor-induced angiogenesis …
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 …
Molecular Regulator Driving Endometriosis Towards Endometrial Cancer: A Multi-Scale Computational Investigation to Repurpose Anti-Cancer drugs
S Mahema, J Roshni, J Raman, SF Ahmad… - Cell Biochemistry and …, 2024 - Springer
Endometriosis is a gynecological disorder among reproductive-aged women. Recent
epidemiological investigations suggest endometriosis increases the risk of endometrial …
epidemiological investigations suggest endometriosis increases the risk of endometrial …
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace
N Singh, L Chaput, BO Villoutreix - Briefings in bioinformatics, 2021 - academic.oup.com
The interplay between life sciences and advancing technology drives a continuous cycle of
chemical data growth; these data are most often stored in open or partially open databases …
chemical data growth; these data are most often stored in open or partially open databases …
[HTML][HTML] COVID-19: Rational discovery of the therapeutic potential of Melatonin as a SARS-CoV-2 main Protease Inhibitor
EL Feitosa, FTDSS Júnior, JADON Neto… - … journal of medical …, 2020 - ncbi.nlm.nih.gov
The SARS-CoV-2 spread quickly across the globe. The World Health Organization (WHO)
on March 11 declared COVID-19 a pandemic. The mortality rate, hospital disorders and …
on March 11 declared COVID-19 a pandemic. The mortality rate, hospital disorders and …
Synthesis, molecular docking and QSAR study of thiazole clubbed pyrazole hybrid as α-amylase inhibitor
In search of potent α-amylase inhibitors, herein we report the synthesis, molecular docking
and QSAR study of some thiazole clubbed pyrazole hybrids (TCPH) ie, 1-((1-phenyl-3-aryl-1 …
and QSAR study of some thiazole clubbed pyrazole hybrids (TCPH) ie, 1-((1-phenyl-3-aryl-1 …
Identification of potential inhibitors of three key enzymes of SARS-CoV2 using computational approach
H Iftikhar, HN Ali, S Farooq, H Naveed… - Computers in biology …, 2020 - Elsevier
The recent outbreak of coronavirus disease-19 (COVID-19) continues to drastically affect
healthcare throughout the world. To date, no approved treatment regimen or vaccine is …
healthcare throughout the world. To date, no approved treatment regimen or vaccine is …
An updated review on developing small molecule kinase inhibitors using computer-aided drug design approaches
L Li, S Liu, B Wang, F Liu, S Xu, P Li… - International Journal of …, 2023 - mdpi.com
Small molecule kinase inhibitors (SMKIs) are of heightened interest in the field of drug
research and development. There are 79 (as of July 2023) small molecule kinase inhibitors …
research and development. There are 79 (as of July 2023) small molecule kinase inhibitors …
Computational guided identification of potential leads from Acacia pennata (L.) Willd. as inhibitors for cellular entry and viral replication of SARS-CoV-2
Abstract Background Coronavirus disease 2019 (COVID-19) caused by severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2) started in 2019 and is still an on-going …
respiratory syndrome coronavirus 2 (SARS-CoV-2) started in 2019 and is still an on-going …