Results 91 to 100 of about 26,166,385 (205)

The Therapeutic Potential of Purmorphamine Across Disease Models

Journal of Cellular and Molecular Medicine, Volume 30, Issue 17, September 2026.
ABSTRACT Purmorphamine (PUR) is a trisubstituted purine compound that selectively activates Smoothened receptor, thereby initiating Sonic Hedgehog (Shh) signalling—a pathway critical for embryonic patterning, neuronal specification and tissue regeneration across multiple organ systems. Dysregulation of Shh signalling has been implicated in degenerative
Ashis Dhar, Ahnaf Dil Sharar, Saikarthik Papisetty, Mohammad Bydon, F. M. Moinuddin   +4 more
wiley   +1 more source

Graphene Oxide–Hydroxyapatite Nanocomposite Coatings and Extracellular Matrix Protein Interactions for Enhanced Osseointegration in Dental Implants

Journal of Cellular and Molecular Medicine, Volume 30, Issue 17, September 2026.
ABSTRACT Graphene oxide (GO) has been recognised to have a strong protein‐binding ability attributed to its high surface area and oxygen functional groups (OFGs) but is plagued with dose‐dependent cytotoxicity. In contrast, hydroxyapatite (HA) is highly biocompatible but has shown relatively weak protein–protein interactions on the molecular scale. The
Ravinder S. Saini, Rayan Ibrahim H. Binduhayyim, Doni Dermawan, Masroor Ahmed Kanji, Syed Altafuddin Quadri, Artak Heboyan   +5 more
wiley   +1 more source

Dynamic and multi-pharmacophore modeling for designing polo-box domain inhibitors.

PLoS ONE, 2014
The polo-like kinase 1 (Plk1) is a critical regulator of cell division that is overexpressed in many types of tumors. Thus, a strategy in the treatment of cancer has been to target the kinase activity (ATPase domain) or substrate-binding domain (Polo-box
Sugunadevi Sakkiah, Silvia Senese, Qianfan Yang, Keun Woo Lee, Jorge Z Torres   +4 more
doaj   +1 more source

The search for potential inhibitors of protein kinase Pim-1 among new amides of 1,2,4-triazolo[4,3-a]pyridine-3-metanamin with the 1,2,4-oxadiazol cycle in position 7 and 8

Журнал органічної та фармацевтичної хімії, 2019
The Pim-1 enzyme from the serine/threonine protein kinase family is a likely target for the targeted therapy of tumors of hematopoietic and lymphoid tissues. Triazolopyridine is an universal scaffold upon which international scientific programs have been
Veronika R. Karpina, S. M. Kovalenko, Oleg V. Zaremba, O. V. Silin, V. V. Ivanov, S. S. Kovalenko, T. Langer   +6 more
doaj   +1 more source

Structural insight into selective phosphodiesterase 4B inhibitors: pharmacophore-based virtual screening, docking, and molecular dynamics simulations

, 2017
Structural insight into selective phosphodiesterase 4B inhibitors: pharmacophore-based virtual screening, docking, and molecular dynamics ...
Vidushi Sharma (2632084), Sharad Wakode (2632087)   +1 more
core   +1 more source

Tracing Potential Covalent Inhibitors of an E3 Ubiquitin Ligase through Target-Focused Modelling

Molecules, 2019
The Nedd4-1 E3 Ubiquitin ligase has been implicated in multiple disease conditions due its overexpression. Although the enzyme may be targeted both covalently and non-covalently, minimal studies provide effective inhibitors against it. Recently, research
Imane Bjij, Pritika Ramharack, Shama Khan, Driss Cherqaoui, Mahmoud E. S. Soliman   +4 more
doaj   +1 more source

Generation of pharmacophores and classification of drugs using protein-ligand complexes

Revista Colombiana de Química, 2014
Pharmacophore identification is a veryimportant step in de novo design, leadoptimization, chemogenomics, and virtualscreening of drugs. Unfortunately,the high cost of comercial software forpharmacophore detection is a commonlimiting factor for ...
Eliana Velasquez, Neil Vasquez, Pablo Gutierrez   +2 more
doaj  

Nutraceutical search through the pipeline of pharmacophore-based virtual screening [PDF]

, 2016
Nutraceuticals are food or their parts, present in conventional or non-conventional form, with verified safety and health benefits, beyond their nutritional value. In this work, we describe a novel pipeline for nutraceutical compounds research in the field of pharmacophore screening, providing a new idea for drug discovery.
Dubey, Amit, Del Prete, Eugenio, Dotolo, Serena, Gaeta, Angelo, MARABOTTI, ANNA, Ramteke, Pramod W, FACCHIANO, Angelo   +6 more
openaire   +1 more source

Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants

Drug Design, Development and Therapy, 2016
Fidele Ntie-Kang,1,2,* Conrad Veranso Simoben,1,2,* Berin Karaman,1 Valery Fuh Ngwa,3 Philip Neville Judson,4 Wolfgang Sippl,1 Luc Meva’a Mbaze5 1Department of Pharmaceutical Chemistry, Martin-Luther University of Halle-Wittenberg, Halle (Saale ...
Ntie-Kang F, Simoben CV, Karaman B, Ngwa VF, Judson PN, Sippl W, Mbaze LM   +6 more
doaj  

Graph kernel extensions and experiments with application to molecule classification, lead hopping and multiple targets

, 2009
The discovery of drugs that can effectively treat disease and alleviate pain is one of the core challenges facing modern medicine. The tools and techniques of machine learning have perhaps the greatest potential to provide a fast and efficient route ...
Demco, Anthony A, Demco, Anthony A.
core   +1 more source