Medicinal Chemistry

2^nd International Conference on Medicinal Chemistry & Computer Aided Drug Designing

October 15-17, 2013 Hampton Inn Tropicana, Las Vegas, NV, USA

Accepted Abstracts

• Design and evaluation of protein kinase inhibitors using ensemble docking and induced-fit optimization of active site

  Mark Shenderovich and Ruben Abagyan

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• Structure- and ligand-based efforts aimed at the discovery of potential new antimalarial agents

  G. Scott Weston

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• Identification of chikungunya nsp2 protease key residue through high throughput virtual screening

  Barij Nayan Sinha, Surender Singh Jadav and Venketesan Jayaprakash

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• Molecular computer modeling and docking is a new technological tool and as well as gift for drug discovery: Bridging research laboratories and clinics

  Partha Palit

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• Design & development of unnatural nucleosides as antiviral & anti-cancer agents

  Ram C. Mishra

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• Towards rational design of fluorine substitution in small molecule inhibitors targeting protein-protein interactions

  Tomasz Cierpicki

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• Role of CADD in rational drug discovery and development

  Pooja Chawla

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• Conventional-QSAR analysis on 1-H, indole,2,3-dione derivatives as selective carboxylesterase inhibitor

  Mishra Achal and Jain Sanmati Kumar

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• BioCuTech- A novel technology for optimizing sub-optimal drugs to best-in-class new molecular entities

  Mahesh Kandula

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• Antibody-functionalized nanoparticles for targeted delivery to lung cancer

  Sunday A. Shoyele

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• Apoptosis and cell cycle arrest in column fractions of Aerva lanata L

  Bhanot Abhishek, Sinha Manish and Noolvi Malleshappa N

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• Discovery of non-oxime reactivators using an in silico pharmacophore model of oxime reactivators for tabun-inhibited acetylcholinesterase

  Apurba K. Bhattacharjee, Elizabeth Marek, Ha Thu Le, Ruthie Ratcliffe, James C DeMar, Dmitry Pervitsky and Richard K. Gordon

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• Angiotensin converting enzyme inhibitory effect of Ficus deltoidea jack standardised leaf extracts

  Armaghan Shafaei, Abdalrahim F.A. Aisha, Nahdzatul Syima Muslim, Zeyad D. Nassar, ZhariIsmail1 and Amin Malik Shah Abdul Majid

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• Bororetinoids as potential therapeutics for treatment of glioblastoma

  Bhaskar C. Das

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• File enhancement with enabling technologies: MCRs and drug discovery

  Christopher Hulme

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• A facile synthesis of 3-hydroxy-N-(4-oxo-2-arylthiazolidin-3-yl) quinoxaline-2-carboxamides and N-(3-chloro-2-oxo-4-arylazetidin-1-yl)-3-hydroxyquinoxaline-2-carboxamides

  V. Haripriya and M. Thirumala Chary

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• The versatility and synthetic utility of Gewald reaction

  J. Saravanan

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• An implication from the molecular structure principle for the anti-prion drug GN8

  Jiapu Zhang

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• Thin layer chromatography methods in the characterization and stability analyses of the aqueous and dichloromethane extracts of Lagerstroemia speciosa L. (fam. Lythraceae) leaves

  J. L. Gonzaga, J. S. Bonifacio, J. R. Dumbrique, J. O. Gutierrez, C. R. Jimenez, C. S. Mendoza, P. B. Polido, M. G. Rasalan, I. R. Sampang, M. S. Siocson, C. M. So, V. D. Solis and M. J. Taguinod

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• Synthesis and biological evaluation of some novel 1,2,4-triazoles

  Neeraj Upmanyu, Divya Chouksey, Gopal Garg, and P. Mishra

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• The importance of tetrahydrobiopterin mediated interactions in aromatic amino acid hydroxylases enzymes family: Assessing effect on biosynthesis due to effect of single site mutation on thermodynamic stability of hydroxy

  Nidhi Chadha, Anjani K. Tiwari, Marilyn D. Milton and Anil K. Mishra

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• Small-molecule stabilization of 14-3-3 protein-protein interactions

  Christian Ottmann

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• Microwave-assisted synthesis of 1, 8-naphthyridines in the solid state using silica sulphuric acid as catalyst

  Evelyn M. Labastilla & Thirumala Chary Maringanti

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• An insight into binding of oxime-dipeptides at peripheral anionic site as anticholinesterase and reactivator of irreversibly inhibited-ache

  Nidhi Chadha, Anjani K. Tiwari, Marilyn D. Milton and Anil K. Mishra

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• Clusianone derivatives: Separation, semi-synthesis and anticancer evaluation against squamous carcinoma of the nasopharynx and lung adenocarcinoma

  Teng-Jin Khoo, Christhopher Moody, Martyn Inman, Christhophe Wiart, Sree Vaneesa, Wai-Ling Kok and Alan Soo-Beng Khoo

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• Illuminating ligand-receptor interactions: New insights into gpcr pharmacology using fluorescent ligands

  Barrie Kellam

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• Calculation of hydration networks mediating target-ligand interactions

  Csaba Hetenyi

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• The role of salt in Iranian folk medicine

  Farideh Madjidi Khameneh

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• Binding studies of complexes of anticancer drugs with DNA and enzymes involved in DNA replication using molecular docking and cell culture techniques

  Fouzia Perveen

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• Addressing blood-brain barrier in CNS drug discovery using fragment based approach

  G. Sridhar Prasad

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• GPCR-ModSim-A Computational Platform for the structure-based drug design of GPCRs and applications to the design of potent and selective adenosine receptor antagonists

  Hugo Gutiérrez-de-Terán

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• Design, synthesis of benzopyrans and computer aided insight into their SERM type activities

  Jaya Pandey

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• In silico structure prediction and validation of homosapienβ-1 adrenergic receptor via threading based homology modelling and its docking studies

  Maria Saeed, SobiaAhsanHalim and Zaheer-ul-Haq

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• Synthesis of triazinanone, oxadiazinanone derivatives of 1, 8-naphthyridine as antibacterial agents

  M. Thirumala Chary

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• Structural basis of inhibition of nrf2-keap1 interaction and design of novel cancer chemopreventive drug candidates

  Mire Zloh

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• Design, synthesis and characterization of novel inhibitor of apoptosis protein (iap) antagonists

  Nicholas D. P. Cosford

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• Diversity of medicinal plants wealth of malwa region of Madhya Pradesh, India with special reference to its veterinary uses by local village farmers and tribal people

  Pooja Mishra and Sumeet Dwivedi

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• Simultaneous utilization of structure-activity and structure-property relationships for the rational design and synthesis of 3-diarylether-4(1h)-quinolones: A new class of antimalarials

  R. Matthew Cross

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• Innovative chemistry in the synthesis of medicines

  Rakeshwar Bandichhor

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• SARS antiviral therapeutic development through structure and ligand-based drug design

  Rima Chaudhuri, Hyun Lee and Michael E. Johnson

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• Structure and dynamics of water molecules in the inhibitor bound human pim-3 kinase

  Sana Gul and Zaheer-ul-Haq

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• Synthesis of dipeptide linked-cephalosporins to enhance oral absorption

  Shakir M. Alwan

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• Pharmacognostic analysis of authentic and market samples of Curcuma caesia Roxb

  Suchandra Dutta and Saylee Salgaonkar

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• Ethnomedicinal claims and phyto-pharmacological significance of guizotia abyssinica (l.f.) cass: A less known species of Madhya Pradesh, India

  Sumeet Dwivedi Pooja Mishra and Seema Kohli

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• Documentation of medicinal plants in the Eastern Himalayan zone of Arunachal Pradesh, India

  Sumpam Tangjang

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• Computational drug designing of newly synthesized triazoles against potential targets of methicillin resistant Staphylococcus aureus

  Syed Aun Muhammad, Umair Ilyas, ReemAltaf and Safia Ahmed

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• Computational chemistry and drug discovery platform at the University of Arizona’s BIO5 Oro Valley and its application to the identification of potential small molecule therapeutics

  Vijay Gokhale

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• Synthetic small molecule epigenetic modulators as antitumor agents

  Patrick M. Woster

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• Synthesis of some novel 2-pyrazolyl-4(3H)-quinazolinone derivatives of potential antimalarial and anti-leishmanial activities

  Addisu Asfaw Azene

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• Development of a cost effective microwave extraction process to assess the factor-response relationship buried in the experimental data collected from the extraction process of potent bioactives by soft computing techniq

  Anup Kumar Das, Vivekananda Mandal and Subhash C. Mandal

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• Synthesis, characterization and insulin-mimetic studies of zinc complexes of sulfadiazine and derivatives of dithiocarbamates

  Odularu A. T and Ajibade P. A

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• The use of surrogate reference standards in quantitative high performance liquid chromatographyanalysis of metformin hydrochloride tablets

  Christiana Tetteh Agbeko

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• Solubility enhancement of poor water soluble atorvastatin calcium using solid dispersion techniques

  Emanual Michael Patelia and Rakesh Thakur. Jayesh Patel

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• Formulation and evaluation of bi-layer tablet of metoclopramide HCl and ibuprofen

  Emanual Michael Patelia and Rakesh Thakur. Jayesh Patel

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• Solubility enhacement of poorly aqueous soluble drug atorvastatin calcium using natural gums

  Emanual Michael Patelia and Rakesh Thakur. Jayesh Patel

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• Three dimensional systems for drug discovery applications

  H. Hosseinkhani

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• Novel drug design for Alzheimer’s disease by in silico approach

  Jyothi Vanama, G. Girija Sankar, C.Sundaramoorthi and A. Raja Sekaran

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• The poisonous plant Cleistanthus collinus mediated silver nanoparticles to use as nanodrug: A novel approach in green nanobiotechnology

  Nagarajan Kanipandian and Ramasamy Thirumurugan

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• Ethnomedicinal use of Lonicera macrantha (D.Don) spreng by the tribal people of Mizoram and comparison of the phytochemical constituents and antioxidant activities of the aqueous and hydro-alcoholic crude extracts of the

  K. Thanzami, H. Lalhlenmawia and B.B. Kakoti

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• Synthesis and evaluation of novel indole derivatives as AKT inhibitors

  Linna Zhang, Dezhi Yang, Peng Wang, Jianzhen Liu and Guisen Zhao

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• Analgesic activity of some new 1,4-dihydropyridine derivatives

  R. Surendrakumar and A. Idhayadhulla

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• Novel curcumin derivatives for Alzheimer’s disease therapeutics

  A. Rajasekhar Reddy, B. Ramya Sree, B. Shireesha and M. Bhagvan Raju

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• A comparative 2D QSAR analysis of levetiracetam & its analogs: The inhibitor of glioblastoma, by different statistical techniques: MLR, PLS, SVM, ANN

  Rajesh Kumar Guru, Raghunath Satpathy, Rashmiranjan Behera and Biswajit Nayak

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• Creation and evaluation of a two/three dimensional molecular database for drugs used to target the respiratory system

  Cassar SJ, Shoemake C and Azzopardi LM

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• A comparative study of p53 and nutlin-3 interaction with MDM2 towards drug design

  Shah Md. Abdur Rauf, Hiromitsu Takaba, Carlos A. Del Carpio and Akira Miyamoto

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• The effects of D-allose on locomotor activity and acetylcholinesterase activity in scopolamineinduced hyperactivity in mice

  Gomonchareonsiri Sumittra, Akram Hossain, Ikuko Tsukamoto and Masaaki Tokuda

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• Effect of petroleum ether cold maceration extract of Wattakaka volubilis on alloxan induced diabetes in rats

  Velmani Gopal and Subhash C. Mandal

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• Computer aided structural based drug design for human herpes viral species

  Vipan Kumar Sohpal, Apurba Dey and Amarpal Singh

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• Understanding the hot and cold properties from chinese herbal medicine (CHM) based on modulating TRP channels

  Xing Wang, Yanling Zhang and Yanjiang Qiao

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• Isolation and structure elucidation of phytochemicals from sponges of Okinawa, Japan

  Gabriel Adeyemi Francis, Chiaki Tanaka and Tomofumi Miyamoto

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• Molecular modelling, chemical synthesis and evaluation of antinociceptive effects for some phenazone analogues

  S. M. Bensaber, Z. S. Abood, A. Aremash, A. El-Zitrini, I. A. Mureema, A. Gbaj and M. I. Joaeda

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