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Articles by Ali Khalaj
Total Records ( 2 ) for Ali Khalaj
  Neda Adibpour , Saeed Rezaee , Ali Khalaj , Ali Ramazani and Fakher Rahim
  In silico biology, including computers, databases, methods and algorithms are used for statistically analyzing the data to achieve the extract information and to identify the relationships between these data sets. This study aimed to provide alternative and new drugs that connect to DNA by using in vivo, in silico and find the best option from the newly designed series of drugs. Out of 143 DNA dodecamer crystal structures available in PDB, we have selected three structures and retrieved from the Protein Data Bank (PDB), with minor/major groove or both groove biding mode. Eighteen experimental ligands were docked using AutoDock 4.3 program into the active sites of selected drug-DNA structures. We docked our experimental ligands into three modeled DNA structured and compared those to internal evaluated ligands (drug compounds include ditercalinium, adriamycin and propamidine) and observed the same binding sites in experimental ligands in comparison to internal ligands. Docking results of 6m and 6p compounds into oligonucleotide in comparison to adrimycin and propamidine showed almost same binding fashion. Our results display that the most plausible mode of action of these experimental drugs as DNA binding agents is through intercalation of AT base pairs-linker chain and azole-minor groove. Accordingly, other DNA-drug crystal structures can be used as good patterns for further improvements using in silico and structure-based drug design methods.
  Ali Khalaj and Seyyed Mehdi Mortazavi
  In this study, data from 13 meteorological stations has been used to zoning of precipitation and temperature in Chaharmahal and Bakhtiari province where in the meantime, there are 8 climatological stations and 6 synoptic stations. After data preparation, in Excel and Notepad++ by GIS software, we produced zoning maps of temperature and precipitation. It can be stated through maps that rainfall in the North, North East and North West where are higher than other points in Chaharmahal and Bakhtiari, enjoys greater intensity. In the meantime, Koohrang station has the most rainfall among other parts of the province. More precipitation in the cold season (winter and fall) that is more severe in winter in contrast in the warm months, rainfall is the lowest. Annual precipitation charts which have been prepared from 1958-2010,represent a trend of increasing rainfall from the past to the present. On the other hand, the maps of temperature zoning show that in winter the temperature reaches below 0°C and a large part of the province experience the temperature below zero. The temperature changes in the province fluctuated from -6°C in January to 33° in July. In general, Chaharmahal and Bakhtiari located in the Western parts of the country enjoy blessing of winter precipitation in the West of the country where are due to the low-pressure air masses from the Mediterranean. In contrast, low rainfall and high temperatures in warm seasons are due to the rule of the Azores high pressure on the climate of Iran. It seems that in the province there is a positive correlation between precipitation and elevation so that at the higher places such as Koohrang, rainfall is more intense.
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