QSAR modelling and docking analysis of some thiazole analogues as alfa-glucosidase inhibitors by Muhammad Tukur Ibrahim, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba

Subjects: “…QSAR…”
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QSAR STUDY OF 2-SUBSTITUTED PHENYL-2-OXO-, 2-HYDROXYL- AND 2-ACYLLOXYETHYLSULFONAMIDES AS FUNGICIDES by Yusuf Isyaku, Adamu Uzairu, Sani Uba

Subjects: “…QSAR 2-substituted Sulfonamides Fungicides…”
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THEORETICAL AND INSILCO PHARMACOKINETIC INVESTIGATIONS ON SOME PHENYL PIPERIDINE DERIVATIVES AS NOVEL ANTIDEPRESSANT AGENTS by Olasupo Sabitu Babatunde Babatunde, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba

Subjects: “…Serotonin; antipsychotic; QSAR; Descriptors; Model…”
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QUANTITATIVE STRUCTURE–ACTIVITY RELATIONSHIPS (QSAR) STUDY ON NOVEL 4-AMIDINOQUINOLINE AND 10-AMIDINOBENZONAPHTHYRIDINE DERIVATIVES AS POTENT ANTIMALARIA AGENT by Aliyu Wappah Mahmud, Gideon Adamu Shallangwa, Adamu Uzairu

Subjects: “…QSAR…”
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Vulcanização com óleos vegetais: Relações quantitativas estrutura-atividade e análise qualitativa by Helson Moreira da Costa, Valéria Dutra Ramos, Caio Daflon Martins

Subjects: “…Modelagem Molecular. Propriedades QSAR…”
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Evaluation of phenylethylamine type entactogens and their metabolites relevant to ecotoxicology – a QSAR study by Takač Milena Jadrijević-Mladar, Magina Joao Daniel Casimiro, Takač Tin

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Computational studies of some benzothiazinone-pepirazine derivatives and lipase b inhibitor for mycobacterium tuberculosis by Yakubu Ya'u Muhammad, Adamu Uzairu

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IN SILICO ELUCIDATION OF SOME QUINOLINE DERIVATIVES WITH POTENT ANTI-BREAST CANCER ACTIVITIES. by Momohjimoh Idris Ovaku, Stephen Eyije Abech, Gideon Adamu Shallangwa, Adamu Uzairu

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Molecular docking and quantitative structure-activity relationships for a series of Trypanosoma cruzi dihydroorotate dehydrogenase inhibitors by Gabriela Ciffeli de Jesus, Tatiana Santana Ribeiro, Adriano D. Andricopulo, Leonardo Luiz Gomes Ferreira

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The potential of Curcuma longa L. bioactive compounds as RSK inhibitors for the treatment of prostate cancer: in silico study by Olusola Olalekan Elekofehinti, Foluso Adeola Taiwo, Moses Orimoloye Akinjiyan, Ifeoluwa Rachael Adetoyi, Folasade Oluwatobiloba Ayodeji, Adedotun Olayemi Oluwatuyi, Oluwapelumi Nifesimi Akintoye, Idayat Oyinkansola Kehinde, Bolanle Esther Adedapo, Opeyemi Iwaloye

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QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP AND MOLECULAR DOCKING STUDIES OF HYDROXAMIC ACID DERIVATIVES AS NOVEL CLASS INHIBITORS AGAINST HELICOBACTER PYLORI UREASE by Ibrahim Tijjani Ibrahim, Adamu Uzairu, Balarabe Sagagi

Subjects: “…QSAR…”
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Computational studies and structural insights for discovery of potential natural aromatase modulators for hormone-dependent breast cancer by Snehal Aditya Arvindekar, Sanket Rathod, Prafulla Balkrishna Choudhari, Pradnya Kiran Mane, Aditya Umesh Arvindekar, Suraj Narayan Mali, Bapu Thorat

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Global Assessment of Emerging Contaminant Removal in Wastewater Treatment Plants: <i>In Silico</i> Hazard Screening and Risk Evaluation by Arianna Sgariboldi, Elena Posté, Nicola Chirico, Alessandro Sangion, Marco Evangelista, Cristiana Morosini, Andrea Re, Vincenzo Torretta, Ester Papa

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3D-QSAR, design, molecular docking and dynamics simulation studies of novel 6-hydroxybenzothiazole-2-carboxamides as potentially potent and selective monoamine oxidase B inhibitors by Dong Xie, Dong Xie, Yongzheng Tian, Li Cao, Penghang Guo, Penghang Guo, Zhibiao Cai, Jie Zhou

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Quadratic descriptors and reduction methods in a two-layered model for compound inference by Jianshen Zhu, Naveed Ahmed Azam, Shengjuan Cao, Ryota Ido, Kazuya Haraguchi, Liang Zhao, Hiroshi Nagamochi, Tatsuya Akutsu

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Quantitative Structure–Activity Relationship (QSAR) Modeling of Chiral CCR2 Antagonists with a Multidimensional Space of Novel Chirality Descriptors by Ramanathan Natarajan, Ganapathy S. Natarajan, Subhash C. Basak

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Machine learning based QSAR and Molecular Dynamics simulations in the structural design and mechanism of action of imidazole derivatives with anti-melanoma activity by Rosalvo Ferreira de Oliveira Neto, Sérgio Ruschi Bergamachi Silva, Cintia Emi Yanaguibashi Leal, Edilson Beserra de Alencar Filho

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Novel (Q)SAR models for prediction of reversible and time-dependent inhibition of cytochrome P450 enzymes by Sadegh Faramarzi, Arianna Bassan, Kevin P. Cross, Xinning Yang, Glenn J. Myatt, Donna A. Volpe, Lidiya Stavitskaya

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CombinatorixPy: Advancing mixture descriptors for computational chemistry by Rahil Ashtari Mahini, Gerardo Casanola-Martin, Stephen Szwiec, Simone A. Ludwig, Bakhtiyor Rasulev

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A Simple Machine Learning-Based Quantitative Structure–Activity Relationship Model for Predicting pIC₅₀ Inhibition Values of FLT3 Tyrosine Kinase by Jackson J. Alcázar, Ignacio Sánchez, Cristian Merino, Bruno Monasterio, Gaspar Sajuria, Diego Miranda, Felipe Díaz, Paola R. Campodónico

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