Issue Title
Vol 12, No 2 (2021): June 2021 Molecular docking analysis on the interaction between bovine serum albumin and three commercial fluoroquinolones: Ciprofloxacin, enrofloxacin and pefloxacin Abstract  PDF
Otavio Augusto Chaves, Leonardo Vazquez
Vol 6, No 1 (2015): March 2015 Exploration of new 3α-pregnenolone ester analogues via Mitsunobu reaction, their anti-HIV activity and molecular modeling study Abstract  PDF
Kuthair Mohammed Mahdi, Nabeel Abed Abdul-Reda, Najim Aboud Al-Masoudi
Vol 10, No 2 (2019): June 2019 Correlation between single crystal data and molecular mechanics calculation of 3-(2-hydroxy-phenylimino)-1,3-diphenyl-propan-1-one Abstract  PDF
Adel Sayed Orabi, Sahar Said El-Sakka
Vol 6, No 2 (2015): June 2015 Synthesis, antimicrobial activity and molecular modeling study of some new pyrimidine derivatives Abstract  PDF
Wasfi Abood Al-Masoudi, Abeer Laily Mohmmed, Wamedh Hashim Abass, Najim Aboud Al-Masoudi
Vol 3, No 3 (2012): September 2012 Synthesis, characterization and molecular docking studies of novel S-substituted phenacyl-1,3,4-thiadiazole-thiol derivatives as antimicrobial agents Abstract  PDF
Shashidhar Kerur, Kallanagouda Alagawadi, Hailiang Zhu, Fakkirappa Manvi
Vol 6, No 4 (2015): December 2015 Synthesis, antimicrobial activity, computational and modeling studies of some new organotellurium compounds containing azo moities Abstract  PDF
Wasfi Aboud Al-Masoudi, Rafid Hmedan Al-Asadi, Rasha Munther Othman, Najim Aboud Al‐Masoudi
Vol 5, No 4 (2014): December 2014 Synthesis, anti-HIV activity and molecular modeling study of some new pyrimidine analogues Abstract  PDF
Yossra Abood Marich, Niran Jassim Al-Salihi, Najim Aboud Al-Masoudi
Vol 7, No 1 (2016): March 2016 Synthesis, antimicrobial activity and modelling studies of some new metal complexes of Schiff base derived from sulphonamide drug in vitro Abstract  PDF
Wasfi Aboud Al-Masoudi, Rana Adnan Faaz, Rafid Hmedan Al-Asadi, Hazim Saad Jabbar
Vol 5, No 2 (2014): June 2014 Characterization and biological activity studies on some transition metal complexes of thiosemicarbazide derived from 2-picolinic acid hydrazide Abstract  PDF
Eshraga Eltayeb Mohamed, Abeer Taha AbedelKarim, Yahia Hassan Elmalik, Amna Elamin Mohamed, Mutlaq Sheeded Aljahdali
Vol 3, No 1 (2012): March 2012 Synthesis, structural elucidation and antimicrobial effectiveness of coordination entities of cobalt (II) and nickel (II) derived from 9,17-diaza-2,6,11,15-tetrathia-1,7,10,16-(1,2)-tetrabenzenacyclooctadecaphan-8,17-diene Abstract  PDF
Rajiv Kumar, Rajni Johar, Anil Krishan Aggarwal
Vol 12, No 3 (2021): September 2021 Kinetic modeling of the biodiesel production process using neem seed oil: An alternative to petroleum-diesel Abstract  PDF
Toyese Oyegoke, Kazeem Ajadi Ibraheem
Vol 4, No 4 (2013): December 2013 Nickel(II) complexes of novel thiosemicarbazone compounds: Synthesis, characterization, molecular modeling and in vitro antimicrobial activity Abstract  PDF
Mutlaq Shedeed Aljahdali
Vol 4, No 4 (2013): December 2013 Mixed bivalent transition metal complexes of 1,10-phenanthroline and 2-aminomethylthiophenyl-4-bromosalicylaldehyde Schiff base: Spectroscopic, molecular modeling and biological activities Abstract  PDF
Mutlaq Shedeed Aljahdali, Ahmed Abdou El-Sherif, Rifaat Hasan Hilal, Abeer Taha Abdel-Karim
Vol 5, No 2 (2014): June 2014 Synthesis of some transition metal complexes of novel 1-methylpyrazole-3-aldehyde-4-(2-pyridyl) thiosemicarbazone: Spectroscopic and in vitro biological activity studies Abstract  PDF
Mutlaq Shedeed Aljahdali, Yahia Hassan Elmalik, Gaber Mohamed Abu El-Reash
Vol 7, No 3 (2016): September 2016 Chelation activity of N'1,N'6-bis((E)-3,4-dihydroxybenzylidene)adipohydrazide towards some transition metal ions Abstract  PDF
Ahmed Abdel-Hameed El-Asmy, Bakir Jeragh, Mayada Samir Ali
Vol 2, No 4 (2011): December 2011 Accurate improvement of a mathematical correlation for estimating diffusion coefficient in gaseous hydrocarbons Abstract  PDF
Mohammad Mohsen Sarafraz, Mohammad Jamshidnejad, Ahmad Arabi Shamsabadi, Saeed Laki, Hadi Ajami
Vol 11, No 4 (2020): December 2020 Mechanistic insight into propane dehydrogenation into propylene over chromium (III) oxide by cluster approach and Density Functional Theory calculations Abstract  PDF
Toyese Oyegoke, Fadimatu Nyako Dabai, Adamu Uzairu, Baba El-Yakubu Jibril
Vol 11, No 3 (2020): September 2020 In silico evaluation and docking studies of pyrazole analogs as potential autophagy modulators against pancreatic cancer cell line MIA PaCa-2 Abstract  PDF
Hiba Hashim Mahgoub Mohamed, Amna Bint Wahab Elrashid Mohammed Hussien, Ahmed Elsadig Mohammed Saeed
Vol 7, No 1 (2016): March 2016 Synthesis and characterization of tri- and tetra-metallic complexes of N'1,N'4-bis((E)-3,4-dihydroxybenzylidene)-succinohydrazide Abstract  PDF
Ahmed Abd-Elhamied El-Asmy, Bakir Jeragh, Mayada Samir Ali
Vol 2, No 2 (2011): June 2011 Geometrical, electronic structure, nonlinear optical and spectroscopic investigations of 4-(phenylthio)phthalonitrile dye sensitizer for solar cells using quantum chemical calculations Abstract  PDF
Ponnusamy Munusamy Anbarasan, Palanivel Senthil Kumar, Kolandan Vasudevan, Raji Govindan, Annamalai Prakasam, Munusamy Geetha
Vol 3, No 3 (2012): September 2012 Theoretical free energies of electron transfer, electrochemical properties, electron transfer kinetic and quantitative structural relationships studies of alkynyldihydrofullerene in [X-UT-Y][R-C60–M+] supramolecular complexes Abstract  PDF
Avat Arman Taherpour, Masomeh Tayebi-Suraki, Nosratollah Mahdizadeh
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