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

Subjects: “…pharmacophore…”
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Pharmacophore modeling for the identification of small-molecule inhibitors of TACE by Liu, Li-Juan, Leung, Ka-Ho, Lin, Sheng, Chan, Daniel Shiu-Hin, Susanti, Dewi, Rao, Weidong, Chan, Philip Wai Hong, Ma, Dik-Lung, Leung, Chung-Hang

Subjects: “…Pharmacophore…”
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Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures by Alina Kutlushina, Aigul Khakimova, Timur Madzhidov, Pavel Polishchuk

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QPHAR: quantitative pharmacophore activity relationship: method and validation by Stefan M. Kohlbacher, Thierry Langer, Thomas Seidel

Subjects: “…Pharmacophore…”
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Discovery of a small-molecule inhibitor of STAT3 by ligand-based pharmacophore screening by Leung, Ka-Ho, Liu, Li-Juan, Lin, Sheng, Lu, Lihua, Zhong, Hai-Jing, Susanti, Dewi, Rao, Weidong, Wang, Modi, Che, Weng Ian, Chan, Daniel Shiu-Hin, Leung, Chung-Hang, Chan, Philip Wai Hong, Ma, Dik-Lung

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

Subjects: “…pharmacophore alignment…”
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Chemistry and pharmacological diversity of quinoxaline motifs as anticancer agents by Ajani Olayinka O., Nlebemuo Martins T., Adekoya Joseph A., Ogunniran Kehinde O., Siyanbola Tolutope O., Ajanaku Christiana O.

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Predictive Modeling of Antioxidant Coumarin Derivatives Using Multiple Approaches: Descriptor-Based QSAR, 3D-Pharmacophore Mapping, and HQSAR by Indrani MITRA, Achintya SAHA, Kunal ROY

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Virtual Lead Identification of Farnesyltransferase Inhibitors Based on Ligand and Structure-Based Pharmacophore Techniques by Nizar M. Mhaidat, Ammar M. Almaaytah, Mohammad A. Hassan, Amjad M. Qandil, Haneen A. Amawi, Qosay A. Al-Balas

Subjects: “…common feature pharmacophore…”
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Towards the discovery of molecules with anti-COVID-19 activity: Relationships between screening and docking results by Dmytro Anokhin, Sergiy Kovalenko, Pavlo Trostianko, Alexander Kyrychenko, Anton Zakharov, Tetiana Zubatiuk, Volodymyr Ivanov, Oleg Kalugin

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Synthesis, Antibacterial Evaluation, and Computational Studies of a Diverse Set of Linezolid Conjugates by Riham M. Bokhtia, Adel S. Girgis, Tarek S. Ibrahim, Fatma Rasslan, Eman S. Nossier, Reham F. Barghash, Rajeev Sakhuja, Eatedal H. Abdel-Aal, Siva S. Panda, Amany M. M. Al-Mahmoudy

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Pharmacophore-based design and discovery of (−)-meptazinol carbamates as dual modulators of cholinesterase and amyloidogenesis by Qiong Xie, Zhaoxi Zheng, Biyun Shao, Wei Fu, Zheng Xia, Wei Li, Jian Sun, Wei Zheng, Weiwei Zhang, Wei Sheng, Qihong Zhang, Hongzhuan Chen, Hao Wang, Zhuibai Qiu

Subjects: “…Pharmacophore…”
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In silico Discovery of Novel FXa Inhibitors by Pharmacophore Modeling and Molecular Docking by Yinglan Pu, Hui Liu, Yeheng Zhou, Jiale Peng, Yaping Li, Penghua Li, Yingying Li, Xingyong Liu, Li Zhang

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Identification of BACE-1 Inhibitors against Alzheimer’s Disease through E-Pharmacophore-Based Virtual Screening and Molecular Dynamics Simulation Studies: An Insilco Approach by Kumarappan Chidambaram

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Drug Design by Pharmacophore and Virtual Screening Approach by Deborah Giordano, Carmen Biancaniello, Maria Antonia Argenio, Angelo Facchiano

Subjects: “…structure-based pharmacophore modeling…”
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In Silico Analysis for Exploring the Potential Inhibitors Against Breast Cancer (MCF7) Using Curcumin Analogue Compounds by Neni Frimayanti, Adel Zamri, Yum Eryanti

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In silico identification and biochemical validation of plausible molecular targets of 4-thiazolidinone derivative Les-3833 as a potential anticancer agent by L. Kоbylinska, D. Khylyuk, I. Subtelna, M. Kitsera, R. Lesyk

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Watermelon: setup and validation of an in silico fragment-based approach by Miriana Di Stefano, Salvatore Galati, Lisa Piazza, Francesca Gado, Carlotta Granchi, Marco Macchia, Antonio Giordano, Tiziano Tuccinardi, Giulio Poli

Subjects: “…Pharmacophore model…”
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Bisindole Compounds—Synthesis and Medicinal Properties by Maria Marinescu

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Application of Docking Analysis in the Prediction and Biological Evaluation of the Lipoxygenase Inhibitory Action of Thiazolyl Derivatives of Mycophenolic Acid by Evangelia Tsolaki, Phaedra Eleftheriou, Victor Kartsev, Athina Geronikaki, Anil K. Saxena

Subjects: “…pharmacophore…”
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