Applying molecular docking to pesticides

Y Hou, Y Bai, C Lu, Q Wang, Z Wang… - Pest Management …, 2023 - Wiley Online Library
Pesticide creation is related to the development of sustainable agricultural and ecological
safety, and molecular docking technology can effectively help in pesticide innovation. This …

Old drugs for newly emerging viral disease, COVID-19: Bioinformatic Prospective

MR Dayer - arXiv preprint arXiv:2003.04524, 2020 - arxiv.org
Coronavirus (COVID-19) outbreak in late 2019 and 2020 comprises a serious and more
likely a pandemic threat worldwide. Given that the disease has not approved vaccines or …

Comparative molecular docking studies of phytochemicals as Jak2 inhibitors using Autodock and ArgusLab

AS Achutha, VL Pushpa, KB Manoj - Materials Today: Proceedings, 2021 - Elsevier
Cancer is one of the major threats that we face today due to the lack of a proper medicine
and its harmful side effects. JAK-STAT pathway has been reported to involve in …

Matrix metalloproteinase9 as the protein target in anti-breast cancer drug discovery: an approach by targeting hemopexin domain

CF Adhipandito, DPKS Ludji, E Aprilianto… - Future Journal of …, 2019 - Springer
Background The discovery and development of anticancer still remain a challenge
especially regarding the problem of cancer cell selectivity. Matrix metalloproteinase (MMP) …

[PDF][PDF] Coronavirus (2019-nCoV) deactivation via spike glycoprotein shielding by old drugs, bioinformatic study

MR Dayer - 2020 - researchgate.net
The disease of COVID-19 comprises the most serious against human health worldwide with
a high rate of virulence and mortality. The disease is caused by the 2019-nCoV virus from …

Green synthesis, molecular structure, spectroscopic, ADME, DFT and molecular docking studies on methyl 10-trans, 12-cis-octadecadienoate

S Ezhilan, P Rajesh, S Suresh… - Journal of Molecular …, 2024 - Elsevier
Abstract The methyl 10-trans, 12-cis-octadecadienoate (MOD) obtained from the methanol
extract of Calotropis gigantea flowers was studied using spectroscopic, computational …

Butyrylcholinesterase in metabolic syndrome

GR Sridhar, AA Rao, K Srinivas, G Nirmala… - Medical hypotheses, 2010 - Elsevier
Butyrylcholinesterase may have a role in a number of metabolic functions and could affect
the expression of insulin resistance syndrome. We present our integrated work using …

[PDF][PDF] Investigating phosphate structural replacements through computational and experimental approaches

Y Zhang - Academic Dissertain, University of Helsinki, 2014 - helda.helsinki.fi
Bioisosteric replacements are used in drug design during lead generation and optimization
processes with the aim to replace one functional group of a known molecule by another …

Molecular modeling of potent novel sulfonamide derivatives as non-peptide small molecule anti-COVID 19 agents

S Pradhan, R Prasad, C Sinha… - Journal of Biomolecular …, 2022 - Taylor & Francis
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent for
the COVID-19. The Sulfonamides groups have been widely introduced in several drugs …

New Candidates for Furin Inhibition as Probable Treat for COVID-19: Docking Output

MR Dayer - arXiv preprint arXiv:2107.12799, 2021 - arxiv.org
Furin is a serine protease that takes part in the processing and activation of the host cell pre-
proteins. The enzyme also plays an important role in the activation of several viruses like the …