Screening and identification of secondary metabolites in the bark of Bauhinia variegata to treat Alzheimer's disease by using molecular docking and molecular …

N Khare, SK Maheshwari, AK Jha - Journal of Biomolecular …, 2021 - Taylor & Francis
Abstract Acetylcholinesterase (AChE) and Butyrylcholinesterase (BChE) acts as a promising
protein targets for which drug as an inhibitor can be designed to treat Alzheimer's Disease …

[PDF][PDF] Identifying and Revealing Active Compound from Green Tea (Camellia sinensis) for Curing Systemic Lupus Erythematosus by Acting as CASPASE 1 Inhibitor

H Mawarti, J Nugraha, DA Purwanto, J Soeroso - Med.‑Leg. Update, 2020 - academia.edu
This research aimed to reveal the potency of green tea (Camellia sinensis) as
immunomodulator, antiapoptosis agent and anti pyroptosis agent in Systemic Lupus …

Antileukemic activity and molecular docking study of a polyphenolic extract from coriander seeds

H Mechchate, R Costa de Oliveira, I Es-Safi… - Pharmaceuticals, 2021 - mdpi.com
Leukemia is a group of hematological neoplastic disorders linked to high mortality rates
worldwide, but increasing resistance has led to the therapeutic failure of conventional …

EVALUATING THE MOLECULAR INTERACTION OF SAMBUCUS PLANT BIOACTIVE COMPOUNDS TOWARD TNF-R1 AND TRAIL-R1/R2 AS POSSIBLE ANTI …

WE Putra, M Rifa'i - Scientific Study & Research. Chemistry & …, 2020 - search.proquest.com
Inducing the apoptosis signaling pathway is one of the favorable treatment to overcome
cancer incidence. Current treatment showed the increasing usage of natural products as …

Venetoclax analogs as promising anticancer therapeutics via targeting Bcl-2 protein: in-silico drug discovery study

NM Almansour, KS Allemailem… - Journal of …, 2023 - Taylor & Francis
Abstract B-cell lymphoma 2 (Bcl-2) protein plays a vital role in enhancing malignant cell
survival by alleviating programmed cell death. Therefore, Bcl-2 protein has been identified …

[PDF][PDF] Insight on the in silico study and biological activity assay of chalcone-based 1, 5-benzothiazepines as potential inhibitor for breast cancer MCF7. CMUJ

N Frimayanti, M Yaeghoobi, I Ikhtiarudin, DRW Putri… - Nat. Sci, 2021 - cmuj.cmu.ac.th
In silico study was performed to twelve 1, 5-benzothiazepine chalcone derivatives with the
protein target from the crystallographic structure modeling of the enzyme tyrosine kinase …

[HTML][HTML] Computational Insights into the Interaction of Pinostrobin with Bcl-2 Family Proteins: A Molecular Docking Analysis

V Gunasekaran… - Asian Pacific Journal of …, 2024 - ncbi.nlm.nih.gov
Background: Cancer research has emphasized the Bcl-2 family of proteins because of their
interaction in apoptosis process, a critical mechanism that regulates cellular survival and …

Computational Study of Lactucine and its Derivatives to Investigate its Anti-cancerous Properties Targeting Apoptosis-inducing Protein

M Arya, A Tiwari, DB Singh, G Taj - Letters in Drug Design & …, 2024 - ingentaconnect.com
Background: Lactucine is related to the sesquiterpene lactone group of naturally occurring
compounds and has a variety of pharmacological effects including anticancer properties …

Rational drug design of potent V600E-BRAF kinase inhibitors through molecular docking simulation

BA Umar, A Uzairu, GA Shallangwa… - The Journal of …, 2019 - beta.periodicos.ufv.br
B-RAF is a one of the RAF protein kinase group that contribute to the development of
different types of cancer. V600E-BRAF protein has lot potential for scientific investigation as …

Synthesis, molecular structure, DFT studies, in silico docking and molecular dynamics simulations of 2, 6 dimethoxychalcone derivatives as BRD4 inhibitors

HA Khamees, M Madegowda, S Ananda… - Journal of Molecular …, 2021 - Elsevier
Methoxyphenyl chalcone derivatives (MAHB1 and MAHB3) have been synthesized and
characterised by NMR (1 H& 13 C) spectra and single crystal X-ray diffraction techniques …