Volume 21, Issue 3

Search all Molecular Diversity articles

August 2017

20 articles in this issue

Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
Alejandro Speck-Planche
M. Natália D. S. Cordeiro
Original Article 13 February 2017 Pages: 511 - 523
Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins
Alejandro Speck-Planche
M. Natália D. S. Cordeiro
Erratum 01 August 2017 Pages: 525 - 525
A synthesis of functionalized arylthio-acrylates, benzo[b][1,4]thiazines and benzo[4,5]thiazolo[3,2-a]azepines from 2-methylbenzothiazole and acetylenic esters in aqueous media
Issa Yavari
Kiyana Ghafouri
Mohammad Reza Halvagar
Original Article 20 June 2017 Pages: 527 - 532
Synthesis, pharmacological evaluation and molecular docking of pyranopyrazole-linked 1,4-dihydropyridines as potent positive inotropes
Rakesh Kumar
Neha Yadav
Ashok K. Prasad
Original Article 25 April 2017 Pages: 533 - 546
Novel antimitotic agents related to tubuloclustin: synthesis and biological evaluation
Olga N. Zefirova
Evgeniya V. Nurieva
Sergei A. Kuznetsov
Original Article 08 May 2017 Pages: 547 - 564
Design and one-pot synthesis of 2-thiazolylhydrazone derivatives as influenza neuraminidase inhibitors
Keyang Yuan
Mengwu Xiao
Ailin Liu
Original Article 23 May 2017 Pages: 565 - 576
Synthesis of deuterium-enriched and fluorine-substituted plinabulin derivatives and evaluation of their antitumor activities
Zhongpeng Ding
Yingwei Hou
Wenbao Li
Original Article 09 May 2017 Pages: 577 - 583
Design, synthesis and fluorescence property evaluation of blue emitting triazole-linked chromene peptidomimetics
T. Jency Mohan
D. Bahulayan
Original Article 06 May 2017 Pages: 585 - 596
Ionic liquid-functionalized magnetic nanostructures as an efficient catalyst for the synthesis of 6H-chromeno[4,3-b]quinolin-6-ones
Golnaz Rahimzadeh
Saeed Bahadorikhalili
Mohammad Mahdavi
Original Article 05 May 2017 Pages: 597 - 609
Antioxidant, anticancer and electrochemical redox properties of new bis(2,3-dihydroquinazolin-4(1H)-one) derivatives
Paramasivam Sivaguru
Kandasamy Parameswaran
Appaswami Lalitha
Original Article 05 May 2017 Pages: 611 - 620
Synthesis and antiproliferative activity of amino-substituted benzimidazo[1,2-\({\varvec{a}}\)]quinolines as mesylate salts designed by 3D-QSAR analysis
Darko Vušak
Nataša Perin
Branimir Bertoša
Original Article 30 June 2017 Pages: 621 - 636
Discovery of 5-methyl-2-(4-((4-(methylsulfonyl)benzyl)oxy)phenyl)-4-(piperazin-1-yl)pyrimidine derivatives as novel GRP119 agonists for the treatment of diabetes and obesity
Jinying Chen
Zitai Sang
Liang Ma
Original Article 27 June 2017 Pages: 637 - 654
Structure-based design of new poly (ADP-ribose) polymerase (PARP-1) inhibitors
Navriti Chadha
Ameteshar Singh Jaggi
Om Silakari
Original Article 26 June 2017 Pages: 655 - 660
Computational models for the classification of mPGES-1 inhibitors with fingerprint descriptors
Zhonghua Xia
Aixia Yan
Original Article 08 May 2017 Pages: 661 - 675
Identification of a novel putative inhibitor of the Plasmodium falciparum purine nucleoside phosphorylase: exploring the purine salvage pathway to design new antimalarial drugs
Luciano Porto Kagami
Gustavo Machado das Neves
Daniel Fábio Kawano
Original Article 18 May 2017 Pages: 677 - 695
Identification of potential trypanothione reductase inhibitors among commercially available \(\upbeta \)-carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking
Jorge Rodríguez-Becerra
Lizethly Cáceres-Jensen
Lorena Barrientos
Original Article 27 June 2017 Pages: 697 - 711
A study of the Immune Epitope Database for some fungi species using network topological indices
Severo Vázquez-Prieto
Esperanza Paniagua
Humberto González-Díaz
Original Article 31 May 2017 Pages: 713 - 718
QSAR modeling and in silico design of small-molecule inhibitors targeting the interaction between E3 ligase VHL and HIF-1\(\alpha \)
Jing Pan
Yanmin Zhang
Yulei Jiang
Original Article 08 July 2017 Pages: 719 - 739
3D-QSAR, molecular dynamics simulations, and molecular docking studies on pyridoaminotropanes and tetrahydroquinazoline as mTOR inhibitors
Udit Chaube
Hardik Bhatt
Original Article 02 June 2017 Pages: 741 - 759
\(\hbox {FeCl}_{3}\)-catalyzed \([3{+}3]\) annulation between 3-oxirane-indolin-2-ones and nitrones to construct spiro[1,4,2-dioxazinan]oxindoles
Jingmiao Yu
Chun Cai
Short Communication 24 April 2017 Pages: 761 - 768

Volume 21, Issue 3

Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins

Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins

A synthesis of functionalized arylthio-acrylates, benzo[b][1,4]thiazines and benzo[4,5]thiazolo[3,2-a]azepines from 2-methylbenzothiazole and acetylenic esters in aqueous media

Synthesis, pharmacological evaluation and molecular docking of pyranopyrazole-linked 1,4-dihydropyridines as potent positive inotropes

Novel antimitotic agents related to tubuloclustin: synthesis and biological evaluation

Design and one-pot synthesis of 2-thiazolylhydrazone derivatives as influenza neuraminidase inhibitors

Synthesis of deuterium-enriched and fluorine-substituted plinabulin derivatives and evaluation of their antitumor activities

Design, synthesis and fluorescence property evaluation of blue emitting triazole-linked chromene peptidomimetics

Ionic liquid-functionalized magnetic nanostructures as an efficient catalyst for the synthesis of 6H-chromeno[4,3-b]quinolin-6-ones

Antioxidant, anticancer and electrochemical redox properties of new bis(2,3-dihydroquinazolin-4(1H)-one) derivatives

Synthesis and antiproliferative activity of amino-substituted benzimidazo[1,2-\({\varvec{a}}\)]quinolines as mesylate salts designed by 3D-QSAR analysis

Discovery of 5-methyl-2-(4-((4-(methylsulfonyl)benzyl)oxy)phenyl)-4-(piperazin-1-yl)pyrimidine derivatives as novel GRP119 agonists for the treatment of diabetes and obesity

Structure-based design of new poly (ADP-ribose) polymerase (PARP-1) inhibitors

Computational models for the classification of mPGES-1 inhibitors with fingerprint descriptors

Identification of a novel putative inhibitor of the Plasmodium falciparum purine nucleoside phosphorylase: exploring the purine salvage pathway to design new antimalarial drugs

Identification of potential trypanothione reductase inhibitors among commercially available \(\upbeta \)-carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking

A study of the Immune Epitope Database for some fungi species using network topological indices

QSAR modeling and in silico design of small-molecule inhibitors targeting the interaction between E3 ligase VHL and HIF-1\(\alpha \)

3D-QSAR, molecular dynamics simulations, and molecular docking studies on pyridoaminotropanes and tetrahydroquinazoline as mTOR inhibitors

\(\hbox {FeCl}_{3}\)-catalyzed \([3{+}3]\) annulation between 3-oxirane-indolin-2-ones and nitrones to construct spiro[1,4,2-dioxazinan]oxindoles

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