Pharmacophore-guided in-silico discovery of SIRT1 inhibitors for targeted cancer therapy

D Sharma, R Muniyan - Computational Biology and Chemistry, 2024 - Elsevier
Abstract Epigenetic modifier, Sirtuin (SIRTs) is a family of seven isoforms (SIRT1‐7) and
nicotinamide adenine dinucleotide (NAD+) dependent class III histone deacetylase …

Structure based virtual screening and discovery of novel inhibitors against FabD protein of Mycobacterium tuberculosis

S Sundararajan, K Karunakaran… - Journal of Biomolecular …, 2024 - Taylor & Francis
The highly flexible nature of Mycobacterium tuberculosis (Mtb) can be owed to its tough cell
wall and multiple gene interaction system which makes it resistant to frontline TB drugs …

Zinc and L-carnitine combination with or without methotrexate prevents intestinal toxicity during arthritis treatment via Nrf2/Sirt1/Foxo3 pathways: an In vivo and …

R Katturajan, S Evan Prince - Inflammopharmacology, 2023 - Springer
Methotrexate (MTX) is an antifolate that is inescapable and widely used to treat autoimmune
diseases and is the gold standard medicine for the arthritic condition. Despite its importance …

Integrating machine learning and high throughput screening for the discovery of allosteric AKT1 inhibitors

K Karunakaran, R Muniyan - Journal of Biomolecular Structure and …, 2023 - Taylor & Francis
Evidence from clinical and experimental investigations reveals the role of AKT in oral
cancer, which has led to the development of therapeutic and pharmacological medications …

Leveraging new approach methodologies: ecotoxicological modelling of endocrine disrupting chemicals to Danio rerio through machine learning and toxicity studies

G Italiya, S Subramanian - Toxicology Mechanisms and Methods, 2024 - Taylor & Francis
New approach methodologies (NAMs) offer information tailored to the intended application
while reducing the use of animals. NAMs aim to develop quantitative structure-activity …

Antioxidant and Antidiabetic Potential of Ormocarpum cochinchinense (Lour.) Merr. Leaf: An Integrated In vitro and In silico Approach

R Katturajan, P Shivaji, S Nithiyanandam… - Chemistry & …, 2024 - Wiley Online Library
Diabetes is a prevalent metabolic disorder associated with various complications. Inhibition
of α‐glucosidase and α‐amylase enzymes is an effective strategy for managing non‐insulin …