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ORCIDComputational Biology and Chemistry, Volume 79
Volume 79, April 2019
- Fang-liang Huang, Yang Zhang, Lin-ping Zhang, Shu Wang, Ye Feng, Nian-hang Rong:
Complete genome sequence of Bacillus megaterium JX285 isolated from Camellia oleifera rhizosphere. 1-5 - Md. Lisul Islam, Swakkhar Shatabda, Mahmood A. Rashid
, Mohammed G. M. Khan, M. Sohel Rahman:
Protein structure prediction from inaccurate and sparse NMR data using an enhanced genetic algorithm. 6-15 - Mona Shafaghi, Ali Akbar Shabani, Zarrin Minuchehr:
Rational design of hyper-glycosylated human luteinizing hormone analogs (a bioinformatics approach). 16-23 - Manoj Kumar Gupta, Ramakrishna Vadde:
Identification and characterization of differentially expressed genes in Type 2 Diabetes using in silico approach. 24-35 - Vinícius Guimarães da Paixão, Samuel Silva da Rocha Pita:
In silico identification and evaluation of new Trypanosoma cruzi trypanothione reductase (TcTR) inhibitors obtained from natural products database of the Bahia semi-arid region (NatProDB). 36-47 - Laurent Soulère, Yves Queneau:
Conformational and docking studies of acyl homoserine lactones as a robust method to investigate bioactive conformations. 48-54 - Snezana Ciric Zdravkovic, Milan Pavlovic, Svetlana Apostlovic, Goran Koracevic, Sonja Salinger Martinovic, Dragana Stanojevic, Dusan Sokolovic, Aleksandar M. Veselinovic:
Development and design of novel cardiovascular therapeutics based on Rho kinase inhibition - In silico approach. 55-62 - Neetu Agrawal, Pradeep Mishra:
Synthesis, monoamine oxidase inhibitory activity and computational study of novel isoxazole derivatives as potential antiparkinson agents. 63-72 - S. Murugavel, Chandrasekaran Ravikumar, G. Jaabil, Ponnuswamy Alagusundaram:
Synthesis, computational quantum chemical study, in silico ADMET and molecular docking analysis, in vitro biological evaluation of a novel sulfur heterocyclic thiophene derivative containing 1, 2, 3-triazole and pyridine moieties as a potential human topoisomerase IIα inhibiting anticancer agent. 73-82 - Surabhi Johari, Ashwani Sharma, Subrata Sinha, Aparoop Das:
Integrating pharmacophore mapping, virtual screening, density functional theory, molecular simulation towards the discovery of novel apolipoprotein (apoE ε4) inhibitors. 83-90 - Reaz Uddin, Noor-ul-Ain Zahra, Syed Sikander Azam:
Identification of glucosyl-3-phosphoglycerate phosphatase as a novel drug target against resistant strain of Mycobacterium tuberculosis (XDR1219) by using comparative metabolic pathway approach. 91-102 - Seyed Mahmoud Sadjjadi, Mohammad Ebrahimipour, Fatemeh Sadat Sadjjadi:
Comparison between Echinococcus granulosus sensu stricto (G1) and E. canadensis (G6) mitochondrial genes (cox1 and nad1) and their related protein models using experimental and bioinformatics analysis. 103-109 - Siva Jyothi Buggana, Mani Chandrika Paturi, Harathi Perka, Deepak Reddy Gade, V. V. S. Rajendra Prasad:
Novel 2, 4-disubstituted quinazolines as cytotoxic agents and JAK2 inhibitors: Synthesis, in vitro evaluation and molecular dynamics studies. 110-118 - Tahereh Mostashari-Rad, Lotfollah Saghaie, Afshin Fassihi:
Gp41 inhibitory activity prediction of theaflavin derivatives using ligand/structure-based virtual screening approaches. 119-126 - S. M. Zahid Hosen, Raju Dash, Md. Junaid, Sarmistha Mitra, Nurul Absar:
Identification and structural characterization of deleterious non-synonymous single nucleotide polymorphisms in the human SKP2 gene. 127-136 - Lubna Sherin, Ayesha Sohail, Shahida Shujaat:
Time-dependent AI-Modeling of the anticancer efficacy of synthesized gallic acid analogues. 137-146 - Mohammad A. Khanfar, Saja AlQtaishat:
Discovery of potent IRAK-4 inhibitors as potential anti-inflammatory and anticancer agents using structure-based exploration of IRAK-4 pharmacophoric space coupled with QSAR analyses. 147-154 - Emmanuel S. Adabor, George K. Acquaah-Mensah:
Restricted-derestricted dynamic Bayesian Network inference of transcriptional regulatory relationships among genes in cancer. 155-164 - Yingying Li, Jiale Peng, Penghua Li, Haibo Du, Yaping Li, Xingyong Liu, Li Zhang, Liang-Liang Wang, Zhili Zuo:
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study. 165-176 - Xiaohui Zhao, Yuanyuan Zhao, Zhixing Ren, Yu Li:
Combined QSAR/QSPR and molecular docking study on fluoroquinolones to reduce biological enrichment. 177-184 - Yong Liu, Cristian R. Munteanu, Zhiwei Kong, Tao Ran, Alfredo Sahagún-Ruiz, Zhixiong He, Chuanshe Zhou, Zhiliang Tan:
Identification of coenzyme-binding proteins with machine learning algorithms. 185-192 - Atul Kumar Jaiswal, Annangarachari Krishnamachari:
Physicochemical property based computational scheme for classifying DNA sequence elements of Saccharomyces cerevisiae. 193-201
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