Results 131 to 140 of about 36,254 (282)

Pharmacophore modeling and 3D quantitative structure-activity relationship analysis of febrifugine analogues as potent antimalarial agent

Journal of Advanced Pharmaceutical Technology & Research, 2013
Febrifugine and its derivatives are effective against Plasmodium falciparum. Using PHASE algorithm, a five-point pharmacophore model with two hydrogen bond acceptor (A), one positively ionizable (P) and two aromatic rings (R), was developed to derive a ...
Debanjan Sen, Tapan Kumar Chatterjee
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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
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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
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Structure-Based Pharmacophore Modeling, Virtual Screening, Molecular Docking and Biological Evaluation for Identification of Potential Poly (ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors [PDF]

, 2019
Yunjiang Zhou, Shi Tang, Tingting Chen, Miaomiao Niu   +3 more
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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
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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
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In silico identification of T-type calcium channel blockers: A ligand-based pharmacophore mapping approach

Journal of Advanced Research, 2016
Limited progress has been made in the quest to identify both selective and non-toxic T-type calcium channel blocking compounds. The present research work was directed toward slaking the same by identifying the selective three dimensional (3D ...
Tamanna Gandhi, Anu R. Melge, C. Gopi Mohan   +2 more
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Discovery of Monoacylglycerol Lipase (MAGL) Inhibitors Based on a Pharmacophore-Guided Virtual Screening Study [PDF]

, 2020
Vibhu Jha, Marzia Biagi, Valeria Spinelli, Miriana Di Stefano, Marco Macchia, Filippo Minutolo, Carlotta Granchi, Giulio Poli, Tiziano Tuccinardi   +8 more
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Pharmacophore based virtual screening for identification of effective inhibitors to compact HPV 16 E6 a triggered cervical cancer [PDF]

, 2022
Mohan Anbuselvam, Gregory R. Schwenk, Anbuselvam Jeeva, E. J. Feng, Hai‐Feng Ji   +4 more
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Integrated molecular medicine approaches in inflammation: pharmacoinformatic modelling, virtual screening, 3D-QSAR and free energy landscape analysis of dronedarone derivatives for targeting NLRP3 inflammasome

Discover Applied Sciences
Chronic inflammatory diseases are the most significant cause of death in the world. NLRP3 is an attractive target for the design of anti-inflammatory agents.
Trupti Sameer Chitre, Aniket Limbaji Bhatambrekar, Somdatta Yashwant Chaudhari, Kalyani Dhirendra Asgaonkar, Purvaj Vijay Hirode, Vijey Aanandhi Muthukumar, Kathiravan Muthukumaradoss, Priya Deivasigamani, Venkatesan Saravanan   +8 more
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