EUROPEAN JOURNAL OF
PHARMACEUTICAL AND MEDICAL RESEARCH

( An ISO 9001:2015 Certified International Journal )

An International Peer Reviewed Journal for Pharmaceutical, Medical & Biological Sciences

An Official Publication of Society for Advance Healthcare Research (Reg. No. : 01/01/01/31674/16)

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 ISSN 2394-3211

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 ICV - 79.57

Abstract

MOLECULAR DOCKING STUDIES OF FURANONE BEARING PYRAZOLE AS POTENTIAL INHIBITORS OF ICAM-1: DRUG TARGET FOR CEREBRAL MALARIA

Deepika Choudhary, Nisha Devi and Sukhbir Lal Khokra*

ABSTRACT

A series of total 44 hypothetical butenolide derivatives, as shown in table 1 were designed having substituted pyrazole at α–position of butenolide ring. To pre asses their potential to be effective against cerebral malaria, these 44 hypothetical butenolide derivatives were analysed by computational analysis, particularly docking studies using programme Molegro Virtual Docker 4.0.2. In this study we considered the hypothetical compounds as ligands and suitable target bio-molecules as receptors. When ligands bind to the receptor, the course of a biochemical process is modified. The protein receptors (PDBs) used in this study PDB ID- 1IAM for cerebral malaria. The target protein receptor was found to be most suitable and actively involved as main trait for pathology of cerebral malaria. Results of docking studies revealed that almost all docked compounds have good mol dock score and showed strong interactions with the receptor in comparison to the standard drug Artesunate, main drug used to treat cerebral malaria.

Keywords: Molegro virtual docker, butenolide, binding affinity, pathogenesis.


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Google Scholar Indian Science Publications InfoBase Index (In Process) SOCOLAR, China Research Bible, Fuchu, Tokyo. JAPAN International Society for Research activity (ISRA) Scientific Indexing Services (SIS) Polish Scholarly Bibliography Global Impact Factor (GIF) (Under Process) Universal Impact Factor International Scientific Indexing (ISI), UAE Index Copernicus CAS (A Division of American Chemical Society) USA (Under Process) Directory of Open Access Journal (DOAJ, Sweden, in process) UDLedge Science Citation Index CiteFactor Directory Of Research Journal Indexing (DRJI) Indian citation Index (ICI) Journal Index (JI, Under Process) Directory of abstract indexing for Journals (DAIJ) Open Access Journals (Under Process) Impact Factor Services For International Journals (IFSIJ) Cosmos Impact Factor Jour Informatics (Under Process) Eurasian Scientific Journal Index (ESJI) International Innovative Journal Impact Factor (IIJIF) Science Library Index, Dubai, United Arab Emirates Pubmed Database [NLM ID: 101669306] (Under Process) IP Indexing (IP Value 2.40) Web of Science Group (Under Process) Directory of Research Journals Indexing Scholar Article Journal Index (SAJI) International Scientific Indexing ( ISI ) Scope Database Academia