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Vol 11, No 4 (2020): December 2020 Regiospecific substitution of the β-vinylic sp2 carbon of cyclohexenones bearing the α-chloro- and β-tosylate-groups: Single crystal XRD/Hirshfeld surface/in-silico studies of three representative compounds Abstract  PDF
Arkalgud Satyanarayana Jeevan Chakravart, Suresh Hari Prasad
 
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 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 11, No 3 (2020): September 2020 Antiproliferative potential, quantitative structure-activity relationship, cheminformatic and molecular docking analysis of quinoline and benzofuran derivatives Abstract  PDF
Praveen Kumar, Chinnappa Apattira Uthaiah, Santhosha Sangapurada Mahantheshappa, Nayak Devappa Satyanarayan, SubbaRao Venkata Madhunapantula, Hulikal Shivashankara Santhosh Kumar, Rajeshwara Achur
 
Vol 8, No 4 (2017): December 2017 Synthesis and biological evaluation of phthalimide dithiocarbamate and dithioate derivatives as anti-proliferative and anti-angiogenic agents-I Abstract  PDF
Magdy Zahran, Hussein Agwa, Amany Osman, Sherif Hammad, Bishoy El-Aarag, Nasser Ismail, Tarek Salem, Amira Gamal-Eldeen
 
Vol 8, No 1 (2017): March 2017 ZnBr2-SiO2 catalyzed green synthesis of tetrazoles: Molecular docking and antioxidant activity studies Abstract  PDF
Chenna Krishna Reddy Reddivari, Subba Rao Devineni, Jyothi Kumar Malaka Venkateshwarulu, Vijaya Bhaskar Baki, Appa Rao Chippada, Rajendra Wudayagiri, Rami Reddy Yallala Venkata, Naga Raju Chamarthi
 
Vol 7, No 4 (2016): December 2016 Spectroscopic properties, anti-colon cancer, antimicrobial and molecular docking studies of silver(I), manganese(II), cobalt(II) and nickel(II) complexes for 2-amino-4-phenylthiazole derivative Abstract  PDF
Sami Abdullah Al-Harbi, Mahmoud Sayed Bashandy, Hammed Mohammed Al-Saidi, Adel Abbas Ahmed Emara, Shimaa Mohamed Abd El-Gilil
 
Vol 7, No 3 (2016): September 2016 Design, synthesis and molecular docking studies of some morpholine linked thiazolidinone hybrid molecules Abstract  PDF
Javeed Ahmad War, Santosh Kumar Srivastava, Savitri Devi Srivastava
 
Vol 9, No 3 (2018): September 2018 QSAR and docking studies of α,β-unsaturated carbonyl compounds against human breast adenocarcinoma cell line MCF-7 Abstract  PDF
Maysoon Mohammed Almahdi, Ahmed Elsadig Mohamed Saeed, Nadia Hanafy Metwally
 
Vol 11, No 2 (2020): June 2020 Molecular mechanistic vision on binding interaction of triptan drug, a serotonin (5-HT1) agonist with human serum albumin through multispectral and computational assessments Abstract  PDF
Manjushree Makegowda, Revanasiddappa Hosakere Doddarevanna
 
Vol 11, No 2 (2020): June 2020 Rationale design and synthesis of some novel imidazole linked thiazolidinone hybrid molecules as DNA minor groove binders Abstract  PDF
Javeed Ahmad War, Santosh Kumar Srivastava
 
Vol 10, No 2 (2019): June 2019 Spectroscopic and molecular docking elucidation to binding characteristics of bovine serum albumin with bupropion an aminoketone-medication for nicotine addiction Abstract  PDF
Manjushree Makegowda, Revanasiddappa Hosakere Doddarevanna
 
Vol 7, No 4 (2016): December 2016 Synthesis, characterization, anticancer activity, optical spectroscopic and docking studies of novel thiophene-2-carboxaldehyde derivatives Abstract  PDF
Mohamed Ahadu Shareef, Mohamed Musthafa, Devadasan Velmurugan, Subramani Karthikeyan, Singaravelu Ganesan, Syed Ali Padusha, Saiyad Musthafa, Jamal Mohamed
 
Vol 6, No 4 (2015): December 2015 5H-Dibenz[b,f]azepine based pyrazole sulphonamides: A privileged platform for probing the antimicrobial and antioxidative properties Abstract  PDF
Honnaiah Vijay Kumar, Prasanth Kumar, Javarappa Rangaswamy, Kirugunda Udayakumar Sindhu, Nagaraja Naik
 
Vol 12, No 3 (2021): September 2021 Nitroisatin dithiocarbazate: Synthesis, structural characterization, DFT, and docking studies Abstract  PDF
Pedro Henrique do Nascimento Pereira, Jackelinne Camargo Lima, Victor Marcelo Deflon, Geoffroy Roger Pointer Malpass, Ronaldo Junio de Oliveira, Pedro Ivo da Silva Maia
 
Vol 10, No 4 (2019): December 2019 Synthesis, antibacterial activity and docking studies of chloroacetamide derivatives Abstract  PDF
Shahzad Murtaza, Ataf Ali Altaf, Muhammad Hamayun, Kiran Iftikhar, Muhammad Nawaz Tahir, Javaria Tariq, Khadija Faiz
 
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