Promising essential oils/plant extracts in the prevention and treatment of dandruff pathogenesis

KMU Kumari, NP Yadav… - Current topics in medicinal …, 2022 - benthamdirect.com
Background: Dandruff is a scalp disorder affecting the male populace predominantly.
Topical agents and synthetic drugs used for dandruff treatment have specific side effects …

Treasuring the computational approach in medicinal plant research

H Singh, N Bharadvaja - Progress in Biophysics and Molecular Biology, 2021 - Elsevier
Medicinal plants serve as a valuable source of secondary metabolites since time
immemorial. Computational Research in 21st century is giving more attention to medicinal …

Network pharmacology, molecular docking and molecular dynamics to explore the potential immunomodulatory mechanisms of deer antler

L Liu, Y Jiao, M Yang, L Wu, G Long, W Hu - International Journal of …, 2023 - mdpi.com
The use of deer antlers dates back thousands of years in Chinese history. Deer antlers have
antitumor, anti-inflammatory, and immunomodulatory properties and can be used in treating …

[HTML][HTML] Discovery of Hordenine as a potential inhibitor of pyruvate dehydrogenase kinase 3: implication in lung Cancer therapy

S Anwar, T Mohammad, A Shamsi, A Queen… - Biomedicines, 2020 - mdpi.com
Design and development of potential pyruvate dehydrogenase kinase 3 (PDK3) inhibitors
have gained attention because of their possible therapeutic uses in lung cancer therapy. In …

Remdesivir strongly binds to RNA-dependent RNA polymerase, membrane protein, and main protease of SARS-CoV-2: indication from molecular modeling and …

FI Khan, T Kang, H Ali, D Lai - Frontiers in pharmacology, 2021 - frontiersin.org
Development of new drugs is a time-taking and expensive process. Comprehensive efforts
are being made globally toward the search of therapeutics against SARS-CoV-2. Several …

Molecular docking and simulation studies of flavonoid compounds against PBP-2a of methicillin‐resistant Staphylococcus aureus

AK Verma, SF Ahmed, MS Hossain… - Journal of …, 2022 - Taylor & Francis
Abstract Methicillin-Resistant Staphylococcus aureus (MRSA), a pathogenic bacterium that
causes life-threatening outbreaks such as community-onset and nosocomial infections as …

Molecular insight on the binding of halogenated organic phosphate esters to human serum albumin and its effect on cytotoxicity of halogenated organic phosphate …

Z Zhang, L Dai, K Yang, J Luo, Y Zhang, P Ding… - International Journal of …, 2024 - Elsevier
Abstract Halogenated Organic Phosphate Esters (OPEs) are commonly found in plasticizers
and flame retardants. However, they are one kind of persistent contaminants that can pose a …

[HTML][HTML] Identification of phytoconstituents as potent inhibitors of casein kinase-1 alpha using virtual screening and molecular dynamics simulations

A Shafie, S Khan, Zehra, T Mohammad, F Anjum… - Pharmaceutics, 2021 - mdpi.com
Casein kinase-1 alpha (CK1α) is a multifunctional protein kinase that belongs to the
serine/threonine kinases of the CK1α family. It is involved in various signaling pathways …

Phytoconstituents and medicinal plants for anticancer drug discovery: Computational identification of potent inhibitors of PIM1 kinase

F Anjum, T Mohammad, AA Almalki… - Omics: A Journal of …, 2021 - liebertpub.com
Natural products, medicinal plants, and phytoconstituents serve as important sources and
accelerators for anticancer drug discovery, especially when they are combined with virtual …