A facile synthesis of novel 5‐substituted pyridine 2 carboxamide derivatives and their biological evaluation and 3D QSAR studies

2018 ◽  
Vol 66 (4) ◽  
pp. 415-426
Author(s):  
Prabu Dharman ◽  
Visagamoorthy Babu ◽  
K. Anver Basha
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Facile Synthesis ◽  
Qsar Studies

Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein

2014 ◽  
Vol 22 (7) ◽  
pp. 2311-2319 ◽  
Author(s):  
Zahida Parveen ◽  
Gerda Brunhofer ◽  
Ishrat Jabeen ◽  
Thomas Erker ◽  
Peter Chiba ◽  
...  
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Studies ◽  
Chalcone Derivatives ◽  
P Glycoprotein

Synthesis, biological evaluation, 3D-QSAR studies of novel aryl-2H-pyrazole derivatives as telomerase inhibitors

2013 ◽  
Vol 23 (4) ◽  
pp. 1091-1095 ◽  
Author(s):  
Yin Luo ◽  
Shuai Zhang ◽  
Ke-Ming Qiu ◽  
Zhi-Jun Liu ◽  
Yu-Shun Yang ◽  
...  
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Pyrazole Derivatives ◽  
Qsar Studies ◽  
Telomerase Inhibitors

scholarly journals Synthesis, biological evaluation and 3D-QSAR studies of 3-keto salicylic acid chalcones and related amides as novel HIV-1 integrase inhibitors

2011 ◽  
Vol 19 (6) ◽  
pp. 2030-2045 ◽  
Author(s):  
Horrick Sharma ◽  
Shivaputra Patil ◽  
Tino W. Sanchez ◽  
Nouri Neamati ◽  
Raymond F. Schinazi ◽  
...  
Keyword(s):  
Salicylic Acid ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Integrase Inhibitors ◽  
Qsar Studies ◽  
Hiv 1

scholarly journals Modification, Biological Evaluation and 3D QSAR Studies of Novel 2-(1,3-Diaryl- 4,5-Dihydro-1H-Pyrazol-5-yl)Phenol Derivatives as Inhibitors of B-Raf Kinase

PLoS ONE ◽  
2014 ◽  
Vol 9 (5) ◽  
pp. e95702 ◽  
Author(s):  
Yu-Shun Yang ◽  
Fei Zhang ◽  
Dan-Jie Tang ◽  
Yong-Hua Yang ◽  
Hai-Liang Zhu
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Studies ◽  
Raf Kinase ◽  
Phenol Derivatives

Synthesis, biological evaluation and 3D-QSAR studies of novel 5-phenyl-1H-pyrazol cinnamamide derivatives as novel antitubulin agents

2015 ◽  
Vol 93 ◽  
pp. 291-299 ◽  
Author(s):  
Shu-Fu Wang ◽  
Yong Yin ◽  
Ya-Liang Zhang ◽  
Shan-Wei Mi ◽  
Meng-Yue Zhao ◽  
...  
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Studies

Isolation, biological evaluation and 3D-QSAR studies of insecticidal/narcotic sesquiterpene polyol esters

2010 ◽  
Vol 17 (4) ◽  
pp. 681-693 ◽  
Author(s):  
Shao-peng Wei ◽  
Zhi-qin Ji ◽  
Hui-xiao Zhang ◽  
Ji-wen Zhang ◽  
Yong-hua Wang ◽  
...  
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Studies ◽  
Polyol Esters

scholarly journals Virtual Screening, Biological Evaluation, and 3D-QSAR Studies of New HIV-1 Entry Inhibitors That Function via the CD4 Primary Receptor

Molecules ◽  
2018 ◽  
Vol 23 (11) ◽  
pp. 3036 ◽  
Author(s):  
Chaozai Zhang ◽  
Huijun Zhang ◽  
Lina S. Huang ◽  
Siyu Zhu ◽  
Yan Xu ◽  
...  
Keyword(s):  
Biological Activities ◽  
Similarity Index ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Rational Drug Design ◽  
Field Analysis ◽  
Qsar Studies ◽  
Entry Inhibitors ◽  
Primary Receptor ◽  
Hiv 1

Human immunodeficiency virus type 1 (HIV-1) is responsible for the majority of HIV infections worldwide, and we still lack a cure for this infection. Blocking the interaction of HIV-1 and its primary receptor CD4 is one strategy for identifying new anti-HIV-1 entry inhibitors. Here we report the discovery of a novel ligand that can inhibit HIV-1 entry and infection via CD4. Biological and computational analyses of this inhibitor and its analogs, using bioactivity evaluation, Rule of Five (RO5), comparative molecular field analysis (CoMFA)/comparative molecular similarity index analysis (CoMSIA) models, and three-dimensional quantitative structure-activity relationship (3D-QSAR), singled out compound 3 as a promising lead molecule for the further development of therapeutics targeting HIV-1 entry. Our study demonstrates an effective approach for employing structure-based, rational drug design techniques to identify novel antiviral compounds with interesting biological activities.

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