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ORCIDComputational Biology and Chemistry, Volume 76
Volume 76, October 2018
- Ritika Srivastava, Sunil K. Gupta, Farha Naaz, Anuradha Singh
, Vishal Kumar Singh, Rajesh Verma, Nidhi Singh, Ramendra K. Singh:
Synthesis, antibacterial activity, synergistic effect, cytotoxicity, docking and molecular dynamics of benzimidazole analogues. 1-16 - Diana F. Rojas-Rengifo, María Camila Alvarez-Silva, Cindy P. Ulloa-Guerrero, Vanessa Lucía Nuñez-Velez, María del Pilar Delgado, Sonia Milena Aguilera, Harold Castro, Carlos Alberto Jaramillo, Andrés Fernando González Barrios:
Intramolecular energies of the cytotoxic protein CagA of Helicobacter pylori as a possible descriptor of strains' pathogenicity level. 17-22 - Akram Vasighizaker, Saeed Jalili:
C-PUGP: A cluster-based positive unlabeled learning method for disease gene prediction and prioritization. 23-31 - Rajesh Kumar Pathak, Ayushi Gupta, Rohit Shukla, Mamta Baunthiyal:
Identification of new drug-like compounds from millets as Xanthine oxidoreductase inhibitors for treatment of Hyperuricemia: A molecular docking and simulation study. 32-41 - Alireza Salimi Chirani, Mona Ghazi, Mehdi Goudarzi, Shahin Najar Peerayeh, Hoorieh Soleimanjahi, Masoud Dadashi, Bahareh Hajikhani:
A survey on chimeric UreB229-561-HpaA protein targeting Helicobacter pylori: Computational and in vitro urease activity valuation. 42-52 - Yaping Li, Jiale Peng, Yeheng Zhou, Penghua Li, Yingying Li, Xingyong Liu, Abu Nasar Siddique, Li Zhang, Zhili Zuo:
Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1. 53-60 - Didem Söhretoglu, Suat Sari, Burak Barut, Arzu Özel:
Tyrosinase inhibition by a rare neolignan: Inhibition kinetics and mechanistic insights through in vitro and in silico studies. 61-66 - Ikrormi Rungsung, Muthukumaran Rajagopalan, Amutha Ramaswamy:
Molecular dynamics study of TMPA mediated dissociation of Nur77-LKB1 complex. 67-78 - Felipe Valenzuela-Riffo, Patricio Ramos, Luis Morales-Quintana:
Computational study of FaEXPA1, a strawberry alpha expansin protein, through molecular modeling and molecular dynamics simulation studies. 79-86 - Mostafa Herajy, Fei Liu, Christian Rohr, Monika Heiner:
Coloured Hybrid Petri Nets: An adaptable modelling approach for multi-scale biological networks. 87-100 - Sajjad Farashi, Pezhman Sasanpour, Hashem Rafii-Tabar:
The role of the transient receptor potential melastatin5 (TRPM5) channels in the pancreatic β-cell electrical activity: A computational modeling study. 101-108 - Haneesh Jasuja, Navriti Chadha, Pankaj Kumar Singh, Maninder Kaur, Malkeet Singh Bahia, Om Silakari:
Putative dual inhibitors of Janus kinase 1 and 3 (JAK1/3): Pharmacophore based hierarchical virtual screening. 109-117 - Mingshun Yuan, Zijiang Yang, Guangzao Huang, Guoli Ji:
A novel feature selection method to predict protein structural class. 118-129 - Navaneethan Palanisamy:
Identification of putative drug targets and annotation of unknown proteins in Tropheryma whipplei. 130-138 - Wei Li, Xue Liu, Muhammad R. Suleiman, JiYue Shi, YanQiu Meng, Jian Wang:
Computational investigation of TGF-β receptor inhibitors for treatment of idiopathic pulmonary fibrosis: Field-based QSAR model and molecular dynamics simulation. 139-150 - Shalini Bajaj, Partha Pratim Roy, Jagadish Singh:
Synthesis, thymidine phosphorylase inhibitory and computational study of novel 1, 3, 4-oxadiazole-2-thione derivatives as potential anticancer agents. 151-160 - Vladimir Makarov, Alex Gorlin:
Computational method for discovery of biomarker signatures from large, complex data sets. 161-168 - Aurelio López-Fernández, Domingo S. Rodríguez-Baena, Francisco Gómez-Vela, Norberto Díaz-Díaz:
BIGO: A web application to analyse gene enrichment analysis results. 169-178 - Tugba Boyunegmez Tumer, Berkay Yilmaz, Adem Ozleyen, Begum Kurt, Tugba Taskin Tok, Kemal M. Taskin, Seda Savranoglu Kulabas:
GR24, a synthetic analog of Strigolactones, alleviates inflammation and promotes Nrf2 cytoprotective response: In vitro and in silico evidences. 179-190 - Md. Arifuzzaman, Sarmistha Mitra, Sultana Israt Jahan, Md. Jakaria, Tahmina Abeda, Nurul Absar, Raju Dash:
A Computational workflow for the identification of the potent inhibitor of type II secretion system traffic ATPase of Pseudomonas aeruginosa. 191-201 - Vijisha K. Rajan, T. K. Shameera Ahamed, Hasna C. K., K. Muraleedharan:
A non toxic natural food colorant and antioxidant 'Peonidin' as a pH indicator: A TDDFT analysis. 202-209 - Meenakshi Gupta, Ruchika Sharma, Anoop Kumar:
Docking techniques in pharmacology: How much promising? 210-217 - Sukesh Kalva, Ganigara Bindusree, Alexander V., Parani Madasamy:
Interactome based biomarker discovery for irritable bowel syndrome - A systems biology approach. 218-224 - Bhumika K. Sharma, Debesh Ranjan Roy:
Toxicity of polyhalogenated dibenzo-p-furans in the light of nucleic acid bases interaction. 225-231 - T. V. Ajay Kumar, Alias Anand S. Athavan, C. Loganathan, K. Saravanan, S. Kabilan, V. Parthasathy:
Design, 3D QSAR modeling and docking of TGF-β type I inhibitors to target cancer. 232-244 - Pravin Kumar, Priya Kumari, Shashwati Ghosh Sachan, Raju Poddar:
Mutational analysis of phenolic acid decarboxylase from Enterobacter sp. Px6-4. towards enhancement of binding affinity: A computational approach. 245-255 - Gokalp Ozmen Guler, Gokhan Zengin, Firat Karadag, Adriano Mollica, Carene Marie Nancy Picot-Allain, Mohamad Fawzi Mahomoodally:
HPLC-DAD profiles and pharmacological insights of Onobrychis argyrea subsp isaurica extracts. 256-263 - Vatsal M. Patel, Navin B. Patel, Manuel J. Chan-Bacab, Gildardo Rivera:
Synthesis, biological evaluation and molecular dynamics studies of 1, 2, 4-triazole clubbed Mannich bases. 264-274 - Yuan-xin Tian, Yunci Ma, Shaoyu Wu, Tingting Zhang, Zhonghuang Li, Guangfa Wang, Jiajie Zhang:
Understand the acquired resistance of RTK inhibitors by computational receptor tyrosine kinases network. 275-282 - M. Asadollahi-Baboli, S. Dehnavi:
Docking and QSAR analysis of tetracyclic oxindole derivatives as α-glucosidase inhibitors. 283-292 - Mohit Yadav, Jitendra Singh Rathore:
TAome analysis of type-II toxin-antitoxin system from Xenorhabdus nematophila. 293-301 - Praveen Kumar Guttula, Anushka Agarwal, Usharani Maharana, Mukesh Kumar Gupta:
Prediction of novel pluripotent proteins involved in reprogramming of male Germline stem cells (GSCs) into multipotent adult Germline stem cells (maGSCs) by network analysis. 302-309 - Muhammad Shakil Shah, Muhammad Najam-ul-Haq, Hamid Saeed Shah, Syed Umar Farooq Rizvi, Jamshed Iqbal:
Quinoline containing chalcone derivatives as cholinesterase inhibitors and their in silico modeling studies. 310-317 - Wei Zhou, Ziyi Chen, Zhigang Liu, Yonghua Wang:
Stochasticity and robustness analysis of microRNA-mediated ERK signaling network. 318-326 - Burçin Türkmenoglu, Yahya Güzel:
Molecular docking and 4D-QSAR studies of metastatic cancer inhibitor thiazoles. 327-337 - M. A. Zayed, M. El-desawy, A. A. Eladly:
Experimental and theoretical spectroscopic studies in relation to molecular structure investigation of para chloro, para fluoro and para nitro maleanilinic acids. 338-356
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