Pharmacophore modelling of vanillin derivatives, favipiravir, chloroquine, hydroxychloroquine, monolaurin and tetrodotoxin as MPro inhibitors of severe acute respiratory syndrome c... by Woon Yi Law, Mohd Razip Asaruddin, Showkat Ahamd Bhawani, Samsur Mohamad

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Quantitative structure-activity relationship and ADME prediction studies on series of spirooxindoles derivatives for anti-cancer activity against colon cancer cell line HCT-116 by Sukhmeet Kaur, Jasneet Kaur, Bilal Ahmad Zarger, Nasarul Islam, Nazirah Mir

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Identification of Novel Dopamine D₂ Receptor Ligands—A Combined In Silico/In Vitro Approach by Lukas Zell, Constanze Lainer, Jakub Kollár, Veronika Temml, Daniela Schuster

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Discovery of novel CDK2 inhibitors for cancer treatment: integrating ligand-based pharmacophore modelling, molecular docking, DFT, ADMET, and molecular dynamics simulation studies by Bharath Kumar Chagaleti, Venkatesan Saravanan, M. K. Kathiravan

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Applications of the Novel Quantitative Pharmacophore Activity Relationship Method QPhAR in Virtual Screening and Lead-Optimisation by Stefan Michael Kohlbacher, Matthias Schmid, Thomas Seidel, Thierry Langer

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Discovery of dual kinase inhibitors targeting VEGFR2 and FAK: structure-based pharmacophore modeling, virtual screening, and molecular docking studies by Marwa A. Fouad, Alaa A. Osman, Noha M. Abdelhamid, Mai W. Rashad, Ashrakat Y. Nabawy, Ahmed M. El Kerdawy

Subjects: “…Pharmacophore modelling…”
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Greedy 3-Point Search (G3PS)—A Novel Algorithm for Pharmacophore Alignment by Christian Permann, Thomas Seidel, Thierry Langer

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Analysing the essential proteins set of Plasmodium falciparum PF3D7 for novel drug targets identification against malaria by Fawad Ali, Hira Wali, Saadia Jan, Asad Zia, Muneeba Aslam, Imtiaz Ahmad, Sahib Gul Afridi, Sulaiman Shams, Asifullah Khan

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Elucidating the interactions of bioactive compounds identified from Camellia Sinensis plant as promising candidates for the management of fibroids - A computational approach by Mary A. Okesola, Abayomi E. Adegboyega, Adewale J. Lasisi, Folasade A. Bello, Olubanke O. Ogunlana, Israel S. Afolabi

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Ligand-based pharmacophore modelling, structure optimisation, and biological evaluation for the identification of 2-heteroarylthio-N-arylacetamides as novel HSP90 C-terminal inhibi... by Yajun Liu, Chenyao Li, Yajing Li, Shuming Zhang, Ning Zhang, Xiaobo Bian, Shutao Tan

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In vitro and in silico antibacterial evaluation of nitrocatechol chalcone and pyrazoline derivatives by Alize Hoepfner, Anél Petzer, Jacobus P. Petzer, Judey Pretorius, Theunis T. Cloete

Subjects: “…Common feature pharmacophore modelling…”
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Modulating FOXO3 transcriptional activity by small, DBD-binding molecules by Judith Hagenbuchner, Veronika Obsilova, Teresa Kaserer, Nora Kaiser, Bettina Rass, Katarina Psenakova, Vojtech Docekal, Miroslava Alblova, Klara Kohoutova, Daniela Schuster, Tatsiana Aneichyk, Jan Vesely, Petra Obexer, Tomas Obsil, Michael J Ausserlechner

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Design and Selection of Novel C1s Inhibitors by In Silico and In Vitro Approaches by Katalin Szilágyi, István Hajdú, Beáta Flachner, Zsolt Lőrincz, Júlia Balczer, Péter Gál, Péter Závodszky, Chiara Pirli, Balázs Balogh, István M. Mándity, Sándor Cseh, György Dormán

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The action of physiological and synthetic steroids on the calcium channel CatSper in human sperm by Lydia Wehrli, Lydia Wehrli, Ioannis Galdadas, Ioannis Galdadas, Lionel Voirol, Martin Smieško, Martin Smieško, Yves Cambet, Vincent Jaquet, Stéphane Guerrier, Stéphane Guerrier, Francesco Luigi Gervasio, Francesco Luigi Gervasio, Francesco Luigi Gervasio, Francesco Luigi Gervasio, Serge Nef, Serge Nef, Rita Rahban, Rita Rahban

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A structural approach to investigate halogen substituted MAO-B inhibitors using QSAR modeling, molecular dynamics, and conceptual DFT analysis by Naseer Maliyakkal, Iqrar Ahmad, Sunil Kumar, Sachithra Thazhathuveedu Sudevan, Asmy Appadath Beeran, Harun Patel, Hoon Kim, Bijo Mathew

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Pharmacophore-based approach for the identification of potent inhibitors against LpxC Enzyme from Salmonella Typhi by Mohammad Z. Ahmed, Ali S. Alqahtani, Prakash kumar Shukla, Sanjit Kumar, Sudhir Kumar Pal

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Discovery of New Small Molecule Hits as Hepatitis B Virus Capsid Assembly Modulators: Structure and Pharmacophore-Based Approaches by Sameera Senaweera, Haijuan Du, Huanchun Zhang, Karen A. Kirby, Philip R. Tedbury, Jiashu Xie, Stefan G. Sarafianos, Zhengqiang Wang

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Discovery of selective ACAT2 antagonist via a combination strategy based on deep docking, pharmacophore modelling, and molecular dynamics simulation by Yanfeng Liu, Feng Ding, Liangying Deng, Shuran Zhang, Lixing Wu, Huangjin Tong

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Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation by Sobia Ahsan Halim, Almas Gul Sikandari, Ajmal Khan, Abdul Wadood, Muhammad Qaiser Fatmi, René Csuk, Ahmed Al-Harrasi

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Combining Virtual Screening Protocol and In Vitro Evaluation towards the Discovery of BACE1 Inhibitors by Judite R. M. Coimbra, Salete J. Baptista, Teresa C. P. Dinis, Maria M. C. Silva, Paula I. Moreira, Armanda E. Santos, Jorge A. R. Salvador

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