A study of 1st tier Dendrimer series (Trimesoyl 1,3,5-tridialkyl malonate\r\nester: TTDAM) as drug delivery vehicle encapsulated with the model\r\ndrug ( Methotrexate: MTX) individually, for breast cancer drug delivery\r\nand in vitro evaluation of toxicity of serial dendrimers with their\r\ncomplexes on the breast cancer cell line suggesting new awareness for\r\ndeveloping safe breast cancer drug delivery system. MTX-TTDAMs\r\nwere prepared using a 1 : 1 ratio of MTX and TTDAM, in acetone\r\nmedium at RT followed by 24 h. MTX-TTDAMs formed by hydrogen\r\nbonding confirmed through FTIR and further characterized by SEM and\r\nDLS for their morphological and narrow particle size distribution (on nm\r\nscale) respectively. The –OH stretching frequency at 3356.2, 3352.5,\r\n3420 and 3416.3 cm-1\r\nfor MTX, MTX-TTDMM, MTX-TTDEM and\r\nMTX-TTDPM, respectively absent in dendrimer series elucidating weak\r\nhydrogen bonding between –OH and ester group. A strong stretching of\r\namide at 1648.2 cm-1\r\nin MTX, remains at same position in MTXTTDMM\r\nand MTX-TTDEM aspect MTX-TTDPM shows amide\r\nstretching at 1640.7 cm-1\r\n, confirms impact of amide group in binding.\r\nMTX-TTDPM illustrated less number of aggregates due to more binding\r\nof MTX with TTDPM and rest self-aggregate such as molecular selfassembly.\r\nTrimesoyl 1, 3, 5-tridimethyl malonate ester (TTDMM),\r\ntrimesoyl 1, 3, 5-tridiethyl malonate ester (TTDEM) and trimesoyl 1, 3,\r\n5-tridipropyl malonate ester (TTDPM) has void spaces and functionality\r\nwhich assistances to bind MTX anticancer drugs for their impending use\r\nin breast cancer drug delivery system. The higher hydrophobicity of\r\nTTDPM errands more methotrexate binding and controlled release\r\nprofiles compared to TTDMM and TTDEM. Effects of dendrimers and\r\ntheir complexes were tested on cell viability by SRB assay using a human\r\nbreast cancer cell line (MCF-7), remarkably inhibits the growth of MCF7\r\nbreast cancer cells.\r\n