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Abdullahi Bello Umar & Adamu Uzairu. (2023) Molecular modeling strategy to design novel anticancer agents against UACC-62 and UACC-257 melanoma cell lines. Egyptian Journal of Basic and Applied Sciences 10:1, pages 157-173.
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Sourav Sardar, Jyotisha, Sk. Abdul Amin, Samima Khatun, Insaf Ahmed Qureshi, Umesh Kumar Patil, Tarun Jha & Shovanlal Gayen. (2023) Identification of structural fingerprints among natural inhibitors of HDAC1 to accelerate nature-inspired drug discovery in cancer epigenetics. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-15.
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Sk. Abdul Amin, Sonam Bhargava, Nilanjan Adhikari, Shovanlal Gayen & Tarun Jha. (2018) Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques. Journal of Biomolecular Structure and Dynamics 36:3, pages 590-608.
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A. K. Halder, S. A. Amin, T. Jha & S. Gayen. (2017) Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches. SAR and QSAR in Environmental Research 28:3, pages 253-273.
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Articles from other publishers (19)
Garima, Sanjeev Sharma, Jayant Sindhu & Parvin Kumar. (2023) QSAR analysis for pyrimidine and pyridine derivatives as RIPK2 (receptor interacting protein kinase 2) inhibitors. Journal of the Indian Chemical Society 100:8, pages 101052.
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Sourav Sardar, Arijit Bhattacharya, Sk. Abdul Amin, Tarun Jha & Shovanlal Gayen. (2023) Exploring molecular fingerprints of different drugs having bile interaction: a stepping stone towards better drug delivery. Molecular Diversity.
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Fabian Audu Ugbe, Gideon Adamu Shallangwa, Adamu Uzairu & Ibrahim Abdulkadir. (2023) In-Silico Design and Evaluation of the Anti-Wolbachia Potential of Boron-Pleuromutilins. Borneo Journal of Pharmacy 6:2, pages 168-181.
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Ziyun Xu, Hamza Chughtai, Lei Tian, Lan Liu, Jean-Francois Roy & Stéphane Bayen. (2023) Development of quantitative structure-retention relationship models to improve the identification of leachables in food packaging using non-targeted analysis. Talanta 253, pages 123861.
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Shaheen Begum, V. Anitha Kumari, S.K. Arifa Begum, M. Reddemma, K. Tejaswini & K. Bharathi. (2022) Synthesis and Evaluation of 1,2,4-Triazole Derivatives for
Antioxidant, Anti-inflammatory, Cytotoxicity and QSAR Analysis. Asian Journal of Chemistry 35:1, pages 194-202.
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Samima Khatun, Sk. Abdul Amin, Shovanlal Gayen & Tarun Jha. 2023. Current Trends in Computational Modeling for Drug Discovery. Current Trends in Computational Modeling for Drug Discovery
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Sagiru Hamza Abdullahi, Adamu Uzairu, Gideon Adamu Shallangwa, Sani Uba & Abdullahi Bello Umar. (2022) In-silico activity prediction, structure-based drug design, molecular docking and pharmacokinetic studies of selected quinazoline derivatives for their antiproliferative activity against triple negative breast cancer (MDA-MB231) cell line. Bulletin of the National Research Centre 46:1.
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Maywan Hariono, Dominikus B. E. Wijaya, Teddy Chandra, Nico Frederick, Agnes B. Putri, Erlia Herawati, Luthfi A. Warastika, Merry Permatasari, Agata D. A. Putri & Satrio Ardyantoro. (2021) A Decade of Indonesian Atmosphere in Computer-Aided Drug Design. Journal of Chemical Information and Modeling 62:21, pages 5276-5288.
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Rajendra Kumar Mukherjee, Vinay Kumar & Kunal Roy. (2022) Chemometric modeling of plant protection products (PPPs) for the prediction of acute contact toxicity against honey bees (A. mellifera): A 2D-QSAR approach. Journal of Hazardous Materials 423, pages 127230.
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Fabian A. Ugbe, Gideon A. Shallangwa, Adamu Uzairu & Ibrahim Abdulkadir. (2021) Activity modeling, molecular docking and pharmacokinetic studies of some boron-pleuromutilins as anti-wolbachia agents with potential for treatment of filarial diseases. Chemical Data Collections 36, pages 100783.
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Diana L. Nossa González, Jovanny A. Gómez Castaño, Wilson E. Rozo Núñez & Pablo R. Duchowicz. (2021) Antiprotozoal QSAR modelling for trypanosomiasis (Chagas disease) based on thiosemicarbazone and thiazole derivatives. Journal of Molecular Graphics and Modelling 103, pages 107821.
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Muhammad Tukur Ibrahim, Salisu Muhammad Tahir, Abdullahi Bello Umar & Usman Abdulfatai. (2020) Theoretical investigation and design of some indole derivatives as potent β-glucuronidase inhibitors. Bulletin of the National Research Centre 44:1.
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Abdullahi Bello Umar, Adamu Uzairu, Sani Uba & Gideon Adamu Shallangwa. (2020) QSAR and Docking Studies on Some Potential Anti-Cancer Agents to Predict their Effect on M14 Melanoma Cell Line. Chemistry Africa 3:4, pages 1009-1022.
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Abdullahi Bello Umar, Adamu Uzairu, Gideon Adamu Shallangwa & Sani Uba. (2020) Design of potential anti-melanoma agents against SK-MEL-5 cell line using QSAR modeling and molecular docking methods. SN Applied Sciences 2:5.
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Bello Abdullahi Umar, Adamu Uzairu, Gideon Adamu Shallangwa & Uba Sani. (2019) QSAR modeling for the prediction of pGI50 activity of compounds on LOX IMVI cell line and ligand-based design of potent compounds using in silico virtual screening. Network Modeling Analysis in Health Informatics and Bioinformatics 8:1.
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Sk. Abdul Amin, Nilanjan Adhikari, Sonam Bhargava, Shovanlal Gayen & Tarun Jha. (2017) An integrated QSAR modeling approach to explore the structure–property and selectivity relationships of N-benzoyl-l-biphenylalanines as integrin antagonists. Molecular Diversity 22:1, pages 129-158.
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Sk. Abdul Amin, Nilanjan Adhikari, Shovanlal Gayen & Tarun Jha. (2017) An integrated ligand-based modelling approach to explore the structure-property relationships of influenza endonuclease inhibitors. Structural Chemistry 28:6, pages 1663-1678.
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Sk. Abdul Amin, Nilanjan Adhikari, Shovanlal Gayen & Tarun Jha. (2017) First report on the structural exploration and prediction of new BPTES analogs as glutaminase inhibitors. Journal of Molecular Structure 1143, pages 49-64.
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Sk. Abdul Amin, Nilanjan Adhikari, Tarun Jha & Shovanlal Gayen. (2016) First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington’s disease: A proposal to chemists!. Bioorganic & Medicinal Chemistry Letters 26:23, pages 5712-5718.
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