TY - JOUR AU - Abdulfatai, U. AU - Uzairu, A. AU - Uba, S. PY - 2017 DA - 2017// TI - Quantitative structure-activity relationship and molecular docking studies of a series of quinazolinonyl analogues as inhibitors of gamma amino butyric acid aminotransferase JO - J Adv Res VL - 8 UR - https://doi.org/10.1016/j.jare.2016.10.004 DO - 10.1016/j.jare.2016.10.004 ID - Abdulfatai2017 ER - TY - JOUR AU - Abdullahi, M. AU - Uzairu, A. AU - Shallangwa, G. A. AU - Mamza, P. AU - Arthur, D. E. AU - Ibrahim, M. T. PY - 2020 DA - 2020// TI - In-silico modelling studies on some C14-urea-tetrandrine derivatives as potent anti-cancer agents against prostate (PC3) cell line JO - J King Saud Univ Sci VL - 32 UR - https://doi.org/10.1016/j.jksus.2019.01.008 DO - 10.1016/j.jksus.2019.01.008 ID - Abdullahi2020 ER - TY - JOUR AU - Ali, F. AU - Khan, K. M. AU - Salar, U. AU - Iqbal, S. AU - Taha, M. AU - Ismail, N. H. AU - Perveen, S. AU - Wadood, A. AU - Ghufran, M. AU - Ali, B. PY - 2016 DA - 2016// TI - Dihydropyrimidones: as novel class of b-glucuronidase inhibitors JO - Bioorg Med Chem VL - 24 UR - https://doi.org/10.1016/j.bmc.2016.06.002 DO - 10.1016/j.bmc.2016.06.002 ID - Ali2016 ER - TY - JOUR AU - Ambure, P. AU - Aher, R. B. AU - Gajewicz, A. AU - Puzyn, T. AU - Roy, K. PY - 2015 DA - 2015// TI - “NanoBRIDGES” software: open access tools to perform QSAR and nano-QSAR modeling JO - Chemom Intell Lab Syst VL - 147 UR - https://doi.org/10.1016/j.chemolab.2015.07.007 DO - 10.1016/j.chemolab.2015.07.007 ID - Ambure2015 ER - TY - JOUR AU - Amin, S. A. AU - Gayen, S. PY - 2016 DA - 2016// TI - Modelling the cytotoxic activity of pyrazolo-triazole hybrids using descriptors calculated from the open source tool “PaDEL-descriptor” JO - J Taibah Univ Sci VL - 10 UR - https://doi.org/10.1016/j.jtusci.2016.04.009 DO - 10.1016/j.jtusci.2016.04.009 ID - Amin2016 ER - TY - JOUR AU - Baharudin, M. S. AU - Taha, M. AU - Imran, S. AU - Ismail, N. H. AU - Rahim, F. AU - Javid, M. T. AU - Khan, K. M. AU - Ali, M. PY - 2017 DA - 2017// TI - Synthesis of indole analogs as potent β-glucuronidase inhibitors JO - Bioorg Chem VL - 72 UR - https://doi.org/10.1016/j.bioorg.2017.05.005 DO - 10.1016/j.bioorg.2017.05.005 ID - Baharudin2017 ER - TY - JOUR AU - Beheshti, A. AU - Pourbasheer, E. AU - Nekoei, M. AU - Vahdani, S. PY - 2016 DA - 2016// TI - QSAR modeling of antimalarial activity of urea derivatives using genetic algorithm–multiple linear regressions JO - J Saudi Chem Soc VL - 20 UR - https://doi.org/10.1016/j.jscs.2012.07.019 DO - 10.1016/j.jscs.2012.07.019 ID - Beheshti2016 ER - TY - JOUR AU - Bouchikhi, F. AU - Anizon, F. AU - Moreau, P. PY - 2008 DA - 2008// TI - Synthesis and antiproliferative activities of isoindigo and azaisoindigo derivatives JO - Eur J Med Chem VL - 43 UR - https://doi.org/10.1016/j.ejmech.2007.05.012 DO - 10.1016/j.ejmech.2007.05.012 ID - Bouchikhi2008 ER - TY - JOUR AU - Chadha, N. AU - Silakari, O. PY - 2017 DA - 2017// TI - Indoles as therapeutics of interest in medicinal chemistry: bird’s eye view JO - Eur J Med Chem VL - 134 UR - https://doi.org/10.1016/j.ejmech.2017.04.003 DO - 10.1016/j.ejmech.2017.04.003 ID - Chadha2017 ER - TY - JOUR AU - Moreno de LeBlanc, A. AU - Perdigón, G. PY - 2005 DA - 2005// TI - Reduction of b-glucuronidase and nitroreductase activity by yoghurt in a murine colon cancer model JO - Biocell VL - 29 ID - Moreno de LeBlanc2005 ER - TY - JOUR AU - Gloux, K. AU - Berteau, O. AU - Béguet, F. AU - Leclerc, M. AU - Doré, J. PY - 2011 DA - 2011// TI - A metagenomic β-glucuronidase uncovers a core adaptive function of the human intestinal microbiome JO - Proc Natl Acad Sci VL - 108 UR - https://doi.org/10.1073/pnas.1000066107 DO - 10.1073/pnas.1000066107 ID - Gloux2011 ER - TY - JOUR AU - Ibrahim, M. T. AU - Uzairu, A. AU - Shallangwa, G. A. AU - Uba, S. PY - 2019 DA - 2019// TI - QSAR modelling and docking analysis of some thiazole analogues as⍺-glucosidase inhibitors JO - J Eng Exact Sci VL - 5 UR - https://doi.org/10.18540/jcecvl5iss3pp0257-0270 DO - 10.18540/jcecvl5iss3pp0257-0270 ID - Ibrahim2019 ER - TY - JOUR AU - Ibrahim, M. T. AU - Uzairu, A. AU - Shallangwa, G. A. AU - Uba, S. PY - 2020 DA - 2020// TI - In-silico activity prediction and docking studies of some 2, 9-disubstituted 8-phenylthio/phenylsulfinyl-9 h-purine derivatives as anti-proliferative agents JO - Heliyon VL - 6 UR - https://doi.org/10.1016/j.heliyon.2020.e03158 DO - 10.1016/j.heliyon.2020.e03158 ID - Ibrahim2020 ER - TY - JOUR AU - Ibrahim, M. T. AU - Uzairu, A. AU - Uba, S. AU - Shallangwa, G. A. PY - 2020 DA - 2020// TI - Computational modeling of novel quinazoline derivatives as potent epidermal growth factor receptor inhibitors JO - Heliyon VL - 6 UR - https://doi.org/10.1016/j.heliyon.2020.e03289 DO - 10.1016/j.heliyon.2020.e03289 ID - Ibrahim2020 ER - TY - STD TI - Ibrahim MT, Uzairu A, Umar AB, Bello AS, Isyaku Y (2020a) Molecular modelling, docking and pharmacokinetic studies of N-arylidenequinoline-3-carbohydrazides analogs as novel β-glucuronidase inhibitors. J Mex Chem Soc 64 ID - ref15 ER - TY - JOUR AU - Jalali-Heravi, M. AU - Kyani, A. PY - 2004 DA - 2004// TI - Use of computer-assisted methods for the modeling of the retention time of a variety of volatile organic compounds: a PCA-MLR-ANN approach JO - J Chem Inf Comput Sci VL - 44 UR - https://doi.org/10.1021/ci0342270 DO - 10.1021/ci0342270 ID - Jalali-Heravi2004 ER - TY - JOUR AU - Jorgensen, W. L. PY - 2004 DA - 2004// TI - The many roles of computation in drug discovery JO - Science VL - 303 UR - https://doi.org/10.1126/science.1096361 DO - 10.1126/science.1096361 ID - Jorgensen2004 ER - TY - JOUR AU - Kennard, R. W. AU - Stone, L. A. PY - 1969 DA - 1969// TI - Computer aided design of experiments JO - Technometrics VL - 11 UR - https://doi.org/10.1080/00401706.1969.10490666 DO - 10.1080/00401706.1969.10490666 ID - Kennard1969 ER - TY - JOUR AU - Kitchen, D. B. AU - Decornez, H. AU - Furr, J. R. AU - Bajorath, J. PY - 2004 DA - 2004// TI - Docking and scoring in virtual screening for drug discovery: methods and applications JO - Nat Rev Drug Discov VL - 3 UR - https://doi.org/10.1038/nrd1549 DO - 10.1038/nrd1549 ID - Kitchen2004 ER - TY - JOUR AU - Lee, J. -. H. AU - Lee, J. PY - 2010 DA - 2010// TI - Indole as an intercellular signal in msicrobial communities JO - FEMS Microbiol Rev VL - 34 UR - https://doi.org/10.1111/j.1574-6976.2009.00204.x DO - 10.1111/j.1574-6976.2009.00204.x ID - Lee2010 ER - TY - JOUR AU - Ojha Lokendra, K. AU - Rachana, S. AU - Rani, B. M. PY - 2013 DA - 2013// TI - Modern drug design with advancement in QSAR: a review JO - Int J Res Biosci VL - 2 ID - Ojha Lokendra2013 ER - TY - JOUR AU - Patil, S. S. AU - Dandagvhal, K. R. PY - 2016 DA - 2016// TI - Indole - an interesting scaffold in drug discovery JO - Int J Res Pharm Chem VL - 6 ID - Patil2016 ER - TY - STD TI - Salar U, Miana GA, Khan KM, Naz F, Siddiqui NI, Taha M, Tauseef S, Khan S, Perveen S (2015) Biology-oriented syntheses (BIOS) of novel santonic-1, 3, 4-oxadiazole derivatives under microwave-irradiation and their antimicrobial activity. J Chem Soc Pak 37 ID - ref23 ER - TY - JOUR AU - Sharma, R. AU - Patil, S. AU - Maurya, P. PY - 2014 DA - 2014// TI - Drug discovery studies on quinoline-based derivatives as potential antimalarial agents JO - SAR QSAR Environ Res VL - 25 UR - https://doi.org/10.1080/1062936X.2013.875484 DO - 10.1080/1062936X.2013.875484 ID - Sharma2014 ER - TY - JOUR AU - Taha, M. AU - Ismail, N. H. AU - Imran, S. AU - Selvaraj, M. AU - Rashwan, H. AU - Farhanah, F. U. AU - Rahim, F. AU - Kesavanarayanan, K. S. AU - Ali, M. PY - 2015 DA - 2015// TI - Synthesis of benzimidazole derivatives as potent β-glucuronidase inhibitors JO - Bioorg Chem VL - 61 UR - https://doi.org/10.1016/j.bioorg.2015.05.010 DO - 10.1016/j.bioorg.2015.05.010 ID - Taha2015 ER - TY - STD TI - Tropsha, A. and Bajorath, J.r., Computational methods for drug discovery and design. 2015, ACS Publications. ID - ref26 ER - TY - JOUR AU - Tropsha, A. AU - Gramatica, P. AU - Gombar, V. K. PY - 2003 DA - 2003// TI - The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models JO - Mol Inform VL - 22 ID - Tropsha2003 ER - TY - JOUR AU - Trott, O. AU - Olson, A. J. PY - 2010 DA - 2010// TI - AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading JO - J Comput Chem VL - 31 ID - Trott2010 ER - TY - JOUR AU - Veerasamy, R. AU - Rajak, H. AU - Jain, A. AU - Sivadasan, S. AU - Varghese, C. P. AU - Agrawal, R. K. PY - 2011 DA - 2011// TI - Validation of QSAR models-strategies and importance JO - Int J Drug Design Disc VL - 3 ID - Veerasamy2011 ER - TY - JOUR AU - Yap, C. W. PY - 2011 DA - 2011// TI - PaDEL-descriptor: an open source software to calculate molecular descriptors and fingerprints JO - J Comput Chem VL - 32 UR - https://doi.org/10.1002/jcc.21707 DO - 10.1002/jcc.21707 ID - Yap2011 ER -