Identification of acetylcholinesterase inhibitors from traditional medicinal plants for Alzheimer's disease using in silico and machine learning approaches

MT Islam, M Aktaruzzaman, A Saif, MMH Sourov… - RSC …, 2024 - pubs.rsc.org
Acetylcholinesterase (AChE) holds significance in Alzheimer's disease (AD), where
cognitive impairment correlates with insufficient acetylcholine levels. AChE's role involves …

Exploring KRas Protein Dynamics: An Integrated Molecular Dynamics Analysis of KRas Wild and Mutant Variants

SA Mir, B Nayak, NH Aljarba, V Kumarasamy… - ACS …, 2024 - ACS Publications
This study employs a comprehensive approach combining protein retrieval, sequence
alignment, and molecular dynamics simulations to investigate the structural dynamics and …

The role of Shenqi Fuzheng injection as adjuvant therapy for breast cancer: an overview of systematic reviews and meta-analyses

J Xu, X Li, L Lv, Q Dong, X Du, G Li, L Hou - … Complementary Medicine and …, 2024 - Springer
Background Breast cancer (BC) is the most frequent malignancy in the world. Chemotherapy
(CT) is a common treatment for BC but is accompanied by toxicity and side effects. Shenqi …

[HTML][HTML] Unveiling promising phytocompounds from Moringa oleifera as dual inhibitors of EGFR (T790M/C797S) and VEGFR-2 in non-small cell lung cancer through …

MMR Munna, MTT Tusar, SS Shanta… - Journal of Genetic …, 2024 - Elsevier
Non-small cell lung cancer (NSCLC) is among the main causes of mortality from cancer
around the globe, affecting all genders. Current treatments mainly focus on tyrosine kinase …

Formulation of Carnosic-Acid-Loaded Polymeric Nanoparticles: An Attempt to Endorse the Bioavailability and Anticancer Efficacy of Carnosic Acid against Triple …

S Chatterjee, P Chakraborty, S Dutta… - ACS Applied Bio …, 2024 - ACS Publications
Triple-negative breast cancer (TNBC) is considered to be one of the most difficult subtypes
of breast cancer (BC) to treat. The sheer absence of certain receptors makes it very tough to …

Computational and In silico study of novel fungicides against combating root rot, gray mold, fusarium wilt, and cereal rust

M Naimuzzaman, MM Hasan, A Kumer, AY Hossin… - PloS one, 2025 - journals.plos.org
The exploration of potential candidates for fungicides against four fungal proteins that cause
some vital plant diseases, namely Phytophthora capsici, Botrytis cinerea, Fusarium …

Phytoconstituents of Hericium erinaceus Exert Benefits for ADHD Conditions by Targeting SLC6A4: Extraction, Spectroscopic Characterization, Phytochemical …

K Mohan, N Ravichandran, H Rajendran, J Roshni… - ACS …, 2025 - ACS Publications
Attention-deficit/hyperactivity disorder (ADHD) is a persistent neurodevelopmental disorder.
Despite pharmacological interventions, there is a need for effective lead molecules and …

Investigation of small molecules disrupting dengue virus assembly by inhibiting capsid protein and blocking RNA encapsulation

H Panday, AK Jha, VD Dwivedi - Molecular Diversity, 2024 - Springer
Dengue fever is a significant global public health concern, causing substantial morbidity and
mortality worldwide. The disease can manifest in various forms, from mild fever to potentially …

Molecular dynamics simulations assisted investigation of phytochemicals as potential lead candidates against anti-apoptotic Bcl-B protein

R Bhati, H Zadeng, E Singh, A Kumar… - Journal of …, 2023 - Taylor & Francis
Due to the multifarious nature of cancer, finding a single definitive cure for this dreadful
disease remains an elusive challenge. The dysregulation of the apoptotic pathway or …

Phytochemical stimulants for cancer therapeutics from Garcinia gummi-gutta: A prime research report

BV Vibala, PK Praseetha, S Vijayakumar - Gene Reports, 2024 - Elsevier
Cancers and tumors grow day by day and alternate traditional-based medicines are in
demand to nullify the toxicity and side effects caused by modern pharmacological …