Identification of 1, 3, 4-oxadiazoles as tubulin-targeted anticancer agents: a combined field-based 3D-QSAR, pharmacophore model-based virtual screening …

A Das, M Sarangi, K Jangid, V Kumar… - Journal of …, 2024 - Taylor & Francis
Cancer is one of the most prominent causes of death worldwide and tubulin is a crucial
protein of cytoskeleton that maintains essential cellular functions including cell division as …

Virtual Screening Combined with Enzymatic Assays to Guide the Discovery of Novel SIRT2 Inhibitors

N Scarano, E Abbotto, F Musumeci, A Salis… - International Journal of …, 2023 - mdpi.com
Sirtuin isoform 2 (SIRT2) is one of the seven sirtuin isoforms present in humans, being
classified as class III histone deacetylases (HDACs). Based on the high sequence similarity …

Chemical Composition, In vitro and In silico Evaluation of Essential Oil Extracted from Mentha Piperita L. for Lung Cancer

B Singh, A Kumar, KS Prajapati, S Patel… - Letters in Drug …, 2024 - benthamdirect.com
Background Mentha piperita, a naturally occurring herb, is utilized in medicinal formulations.
It possesses abundant bioactive elements, including flavonoids and phenolic acid …

Design, synthesis, in silico and biological evaluation of new indole based oxadiazole derivatives targeting estrogen receptor alpha

K Kaur, H Verma, P Gangwar, K Jangid, M Dhiman… - Bioorganic …, 2024 - Elsevier
A series of new indole-oxadiazole derivatives was designed and synthesized to develop
potential anti-breast cancer agents. The compounds exhibited significant inhibitory activity …

Multilayered screening for multi-targeted anti-Alzheimer's and anti-Parkinson's agents through structure-based pharmacophore modelling, MCDM, docking, molecular …

N Chhabra, BW Matore, N Lakra, P Banjare… - In Silico …, 2025 - Springer
Alzheimer's disease (AD) and Parkinson's disease (PD) are neurological conditions that
primarily impact the elderly having distinctive traits and some similarities in terms of …

[HTML][HTML] Identification of coumarin derivatives targeting acetylcholinesterase for Alzheimer's disease by field-based 3D-QSAR, pharmacophore model-based virtual …

B Saha, A Das, K Jangid, A Kumar, V Kumar… - Current Research in …, 2024 - Elsevier
Alzheimer's disease (AD) leads to gradual memory loss including other compromised
cognitive abilities. Acetylcholinesterase (AChE), an important biochemical enzyme from the …

In silico Screening of Plectranthus amboinicus and Hyptis suaveolens Phytochemicals: Novel Repellents Targeting Odorant Binding Proteins of Aedes aegypti and …

T Jebastin, JJ Wilson, N Sisubalan… - Anti-Infective …, 2025 - benthamdirect.com
Background and Aim Mosquitoes significantly threaten public health, transmitting dangerous
diseases to humans and animals. Conventional insecticide spraying, while common, has …