Results 91 to 100 of about 13,822,676 (240)

Ligand-Based Pharmacophore Modelling Targeting α-Synuclein Misfolding for an Effective Treatment of Parkinson’s Disease

Applications of Modelling and Simulation, 2022
Parkinson’s disease (PD) is a progressive neurodegenerative disease prominently observed in elderly population. Aggregation and misfolding of α-synuclein protein is strongly implicated as an underlying pathogenesis of the disease. PD is characterised by
Sani Yahaya Najib, Yusuf Oloruntoyin Ayipo, Waleed Abdullah Ahmad Alananzeh, Mohd Nizam Mordi   +3 more
doaj  

3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-b ligands

, 2013
3D-QSAR and pharmacophore model study on aryl diphenolic azoles as estrogen receptor-b ...
Jun-Zhi Wang, 邓伟侨, Hua-Jun Luo, Kun Zou, Nian-Yu Huang   +4 more
core  

Development of hybrid pharmacophore model.

, 2013
The key pharmacophoric features generated from the binding modes of (A) C1 and (B) Ang I. The amino acid residues of the enzyme are shown in gray thin stick form whereas the bound C1 and Ang I are shown in thick stick form.
Songmi Kim (131671), Mahreen Arooj (286338), Sugunadevi Sakkiah (286337), Keun Woo Lee (117280), Yuno Lee (117275), Guang Ping Cao (392159)   +5 more
core   +1 more source

Activation of Metal Complexes With Ultrasound Waves for Targeted Anticancer Therapy

Angewandte Chemie International Edition, EarlyView.
Ultrasound enables non‐invasive activation of metal‐based therapeutics deep within tumors. Acoustic cavitation can drive sonodynamic reactive oxygen species generation or mechanochemical metal–ligand bond dissociation, enabling controlled release of bioactive payloads.
Félix Grosjean, Nicolás Montesdeoca, Gilles Berger, Johannes Karges   +3 more
wiley   +1 more source

Facing Antitubercular Resistance: Identification of Potential Direct Inhibitors Targeting InhA Enzyme and Generation of 3D-pharmacophore Model by in silico Approach. [PDF]

Adv Appl Bioinform Chem, 2023
El Haddoumi G, Mansouri M, Bendani H, Bouricha EM, Kandoussi I, Belyamani L, Ibrahimi A.   +6 more
europepmc   +1 more source

Receptor-ligand pharmacophore model generation and validation.

, 2014
(A) Four featured pharmacophore model consists of two hydrogen bond donors (HBD), two hydrophobic (HPhob), and excluded volumes. Mapping of generated pharmacophore model on compound 12 (B) and compound 14 (C).
Songmi Kim (131671), Ki Hun Park (511972), Mahreen Arooj (286338), Siu Kim (511971), Byeong-Woo Kim (140529), Keun Woo Lee (117280), Yuno Lee (117275), Swan Hwang (131678), Jun Young Kim (511970)   +8 more
core   +1 more source

Deprotective Alkylation: A Platform for Alcohol‐to‐Amine Interconversion Using Nonafluoromesitylenesulfonamides

Angewandte Chemie International Edition, EarlyView.
The straightforward conversion of alcohols to tertiary or secondary amines employing Nms‐amides in a single operation is described. The transformation features broad functional group tolerance and high stereospecificity, underscoring its utility in the synthesis of isotope‐labeled pharmaceuticals.
Jakub Brześkiewicz, Kunj Kapur, Boris Maryasin, Nuno Maulide   +3 more
wiley   +1 more source

Pharmacophore-Directed Retrosynthesis Applied to Rameswaralide: Synthesis and Bioactivity of Sinularia Natural Product Tricyclic Cores

, 2019
A pharmacophore-directed retrosynthesis strategy applied to rameswaralide provided simplified precursors bearing the common 5,5,6 (red) and 5,5,7 (blue) skeleton present in several cembranoid and norcembranoids from Sinularia soft corals.
Khoi Van (7360223), Daniel Romo, Nathanyal J. Truax (2880770), Daniel Romo (246583), Nathanyal J. Truax, Jun O. Liu, Safiat Ayinde, Safiat Ayinde (7360220), Khoi Van, Jun O. Liu (203637)   +9 more
core   +1 more source

Combretastatin A-4 based thiophene derivatives as antitumor agent: Development of structure activity correlation model using 3D-QSAR, pharmacophore and docking studies

Future Journal of Pharmaceutical Sciences, 2017
The structure and ligand based synergistic approach is being applied to design ligands more correctly. The present report discloses the combination of structure and ligand based tactics i.e., molecular docking, energetic based pharmacophore ...
Vijay K. Patel, Avineesh Singh, Deepak K. Jain, Preeti Patel, Ravichandran Veerasamy, Prabodh C. Sharma, Harish Rajak   +6 more
doaj   +1 more source

Development of a novel pharmacophore model to screen specific inhibitors for the serine-threonine protein phosphatase calcineurin. [PDF]

Biochem Biophys Rep, 2022
Mukherjee A, Cuanalo-Contreras K, Sood A, Soto C.   +3 more
europepmc   +1 more source