Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital ro... more Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital role in metastasis of mutant stem cells, which fail to repair damage of H. pylori infection in the stomach. Thus, bone marrow metastasis aggravates progression of gastric cancer (GC). In this study, the transcriptional expression, mutations, survival rate, TFs, miRNAs, gene ontology, and signaling pathways were analyzed using different servers. We found higher transcriptional and clinicopathological characteristics expression compared to normal tissues, worsening survival rate in GC. We detected 25 missenses, 15 truncating mutations, 23 TFs, and 8 miRNAs. Finally, we identified and analyzed the co-expressed genes and found that the leukemia inhibitory factor is the most positively correlated gene. The gene ontological features and signaling pathways involved in GC development were evaluated as well. We believe that this study will provide a basis for BMP1 to be a significant biomarker for human GC prognosis.
The most frequently prescribed first-line treatment for type II diabetes mellitus is metformin. R... more The most frequently prescribed first-line treatment for type II diabetes mellitus is metformin. Recent reports asserted that this diabetes medication can also shield users from cancer. Metformin induces cell cycle arrest in cancer cells. However, the exact mechanism by which this occurs in the cancer system is yet to be elucidated. Here, we investigated the impact of metformin on cell cycle arrest in cancer cells utilizing transforming growth factor (TGF)-beta pathway. TGF-ß pathway has significant effect on cell progression and growth. In order to gain an insight on the underlying molecular mechanism of metformin’s effect on TGF beta receptor 1 kinase, molecular docking was performed. Metformin was predicted to interact with transforming growth factor (TGF)-beta receptor I kinase based on molecular docking and molecular dynamics simulations. Furthermore, pharmacophore was generated for metformin-TGF-ßR1 complex to hunt for novel compounds having similar pharmacophore as metformin w...
Dhaka University Journal of Pharmaceutical Sciences
Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes... more Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes, has a relatively short plasma half-life and low absolute bioavailability. In this study, physicochemical and pharmacokinetics properties of metformin have been thoroughly assayed using ADMETLab, SwissADME, SmartCYP, LigandScout web-servers and software to evaluate the effectiveness of its formulation as controlledrelease matrix tablets. The objective of the present work was to develop a formulation of an oral controlled-release (CR) metformin tablet, using hydrophilic hydroxylpropylmethylcellulose (HPMC) grades K4M and K100M polymers at different concentrations utilizing computational simulatory tools. Intestinal membrane permeability of the drug has been assayed using 2 hours simulation run with MembranePlus Software. Simulated environment generated for in silico dissolution study, using DDDPlus software, of the prepared formulations used USP Apparatus Type 2 rotating at 100 rpm. The ...
Dhaka University Journal of Pharmaceutical Sciences
Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes... more Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes, has a relatively short plasma half-life and low absolute bioavailability. In this study, physicochemical and pharmacokinetics properties of metformin have been thoroughly assayed using ADMETLab, SwissADME, SmartCYP, LigandScout web-servers and software to evaluate the effectiveness of its formulation as controlledrelease matrix tablets. The objective of the present work was to develop a formulation of an oral controlled-release (CR) metformin tablet, using hydrophilic hydroxylpropylmethylcellulose (HPMC) grades K4M and K100M polymers at different concentrations utilizing computational simulatory tools. Intestinal membrane permeability of the drug has been assayed using 2 hours simulation run with MembranePlus Software. Simulated environment generated for in silico dissolution study, using DDDPlus software, of the prepared formulations used USP Apparatus Type 2 rotating at 100 rpm. The ...
Novel drug compound hunting was carried out for SARS-CoV-2 proteins with low mutation susceptibil... more Novel drug compound hunting was carried out for SARS-CoV-2 proteins with low mutation susceptibility. The probability of escape mutation and drug resistance is lower if conserved microbial proteins are targeted by therapeutic drugs. Mutation rate of all SARS-CoV-2 proteins were analyzed via multiple sequence alignment Non-Structural Protein 13 and Non-Structural Protein 16 were selected for the current study due to low mutation rate among viral strains and significant functionality. Cross-species mutation rate analysis for NSP13 and NSP16 showed these are well-conserved proteins among four coronaviral species. Viral helicase inhibitors, identified using literature-mining, were docked against NSP13. Pharmacophore-based screening of 11,375 natural compounds was conducted for NSP16. Stabilities of top compounds inside human body were confirmed via molecular dynamic simulation. ADME properties and LD 50 values of the helicase inhibitors and Ambinter natural compounds were analyzed. Compounds against NSP13 showed binding affinities between −10 and −5.9 kcal/mol whereby ivermectin and scutellarein showed highest binding energies of −10 and −9.9 kcal/mol. Docking of 18 hit compounds against NSP16 yielded binding affinities between −8.9 and −4.1 kcal/mol. Hamamelitannin and deacyltunicamycin were the top compounds with binding affinities of −8.9 kcal/mol and −8.4 kcal/mol. The top compounds showed stable ligand-protein interactions in molecular dynamics simulation. The analyses revealed two hit compounds against each targeted protein displaying stable behavior, high binding affinity and molecular interactions. Conversion of these compounds into drugs after in vitro experimentation can become better treatment options to elevate COVID management.
Dhaka University Journal of Pharmaceutical Sciences
In Bangladesh, the incidence and death rate of patients suffering from dengue infection are escal... more In Bangladesh, the incidence and death rate of patients suffering from dengue infection are escalating. To date, there is no effective antiviral against dengue virus. Treatment regimen mostly includes symptomatic management of the disease. In this study, we performed molecular docking with 36 phytochemicals extracted from Bangladeshi medicinal plants namely Averrhoa carambola L., Curcuma longa L., Nyctanthes arbor-tristis L. and Zingiber officinale against dengue virus non-structural protein 2/non-structural protein 3 (NS2/NS3) chimera. The NS2/NS3 complex functions simultaneously as helicase/protease and/or RNA-tri-phosphatase. The compounds calceolarioside A, ᵞ-elemene, β-sitosterol, β-elemene and curcuminoid-D exhibited high binding affinity (ranging from -8.3 to -7.2 kJ/mol) towards the selected protein and their drug-likeness was confirmed via ADMET analysis. Hence, these compounds have the potential to inhibit viral replication as indicated by computational calculation. Howeve...
Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital ro... more Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital role in metastasis of mutant stem cells, which fail to repair damage of H. pylori infection in the stomach. Thus, bone marrow metastasis aggravates progression of gastric cancer (GC). In this study, the transcriptional expression, mutations, survival rate, TFs, miRNAs, gene ontology, and signaling pathways were analyzed using different servers. We found higher transcriptional and clinicopathological characteristics expression compared to normal tissues, worsening survival rate in GC. We detected 25 missenses, 15 truncating mutations, 23 TFs, and 8 miRNAs. Finally, we identified and analyzed the co-expressed genes and found that the leukemia inhibitory factor is the most positively correlated gene. The gene ontological features and signaling pathways involved in GC development were evaluated as well. We believe that this study will provide a basis for BMP1 to be a significant biomarker for human GC prognosis.
With the increasing rate of people being affected by cancer in Bangladesh, the disease has become... more With the increasing rate of people being affected by cancer in Bangladesh, the disease has become a national concern. Anti-cancer drugs play a significant and crucial role in cancer treatment regimen. Inadequate access to essential anti-cancer medicines may impose serious public health problems in Bangladesh. The present study gives an insight on the availability of eleven WHO enlisted essential anticancer drugs that are commonly prescribed for the top five prevalent cancer types (Breast, Oesophagus, Lung, Cervix, Lips and Oral cavity) in Bangladesh. Expert advice on which essential anti-cancer medicines are commonly prescribed were gathered from oncologists of three medical college hospitals (Dhaka Medical College Hospital (DMCH), Bangabandhu Sheikh Mujib Medical University (BSMMU) and National Institute of Cancer Research and Hospital (NICRH). The study was conducted among a total of 151 pharmaceutical drug stores including 119 retail, 27 model and 5 hospital pharmacies. The sampl...
Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital ro... more Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital role in metastasis of mutant stem cells, which fail to repair damage of H. pylori infection in the stomach. Thus, bone marrow metastasis aggravates progression of gastric cancer (GC). In this study, the transcriptional expression, mutations, survival rate, TFs, miRNAs, gene ontology, and signaling pathways were analyzed using different servers. We found higher transcriptional and clinicopathological characteristics expression compared to normal tissues, worsening survival rate in GC. We detected 25 missenses, 15 truncating mutations, 23 TFs, and 8 miRNAs. Finally, we identified and analyzed the co-expressed genes and found that the leukemia inhibitory factor is the most positively correlated gene. The gene ontological features and signaling pathways involved in GC development were evaluated as well. We believe that this study will provide a basis for BMP1 to be a significant biomarker for human GC prognosis.
The most frequently prescribed first-line treatment for type II diabetes mellitus is metformin. R... more The most frequently prescribed first-line treatment for type II diabetes mellitus is metformin. Recent reports asserted that this diabetes medication can also shield users from cancer. Metformin induces cell cycle arrest in cancer cells. However, the exact mechanism by which this occurs in the cancer system is yet to be elucidated. Here, we investigated the impact of metformin on cell cycle arrest in cancer cells utilizing transforming growth factor (TGF)-beta pathway. TGF-ß pathway has significant effect on cell progression and growth. In order to gain an insight on the underlying molecular mechanism of metformin’s effect on TGF beta receptor 1 kinase, molecular docking was performed. Metformin was predicted to interact with transforming growth factor (TGF)-beta receptor I kinase based on molecular docking and molecular dynamics simulations. Furthermore, pharmacophore was generated for metformin-TGF-ßR1 complex to hunt for novel compounds having similar pharmacophore as metformin w...
Dhaka University Journal of Pharmaceutical Sciences
Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes... more Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes, has a relatively short plasma half-life and low absolute bioavailability. In this study, physicochemical and pharmacokinetics properties of metformin have been thoroughly assayed using ADMETLab, SwissADME, SmartCYP, LigandScout web-servers and software to evaluate the effectiveness of its formulation as controlledrelease matrix tablets. The objective of the present work was to develop a formulation of an oral controlled-release (CR) metformin tablet, using hydrophilic hydroxylpropylmethylcellulose (HPMC) grades K4M and K100M polymers at different concentrations utilizing computational simulatory tools. Intestinal membrane permeability of the drug has been assayed using 2 hours simulation run with MembranePlus Software. Simulated environment generated for in silico dissolution study, using DDDPlus software, of the prepared formulations used USP Apparatus Type 2 rotating at 100 rpm. The ...
Dhaka University Journal of Pharmaceutical Sciences
Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes... more Metformin, taken by nearly 120 million people across the world as a treatment for type 2 diabetes, has a relatively short plasma half-life and low absolute bioavailability. In this study, physicochemical and pharmacokinetics properties of metformin have been thoroughly assayed using ADMETLab, SwissADME, SmartCYP, LigandScout web-servers and software to evaluate the effectiveness of its formulation as controlledrelease matrix tablets. The objective of the present work was to develop a formulation of an oral controlled-release (CR) metformin tablet, using hydrophilic hydroxylpropylmethylcellulose (HPMC) grades K4M and K100M polymers at different concentrations utilizing computational simulatory tools. Intestinal membrane permeability of the drug has been assayed using 2 hours simulation run with MembranePlus Software. Simulated environment generated for in silico dissolution study, using DDDPlus software, of the prepared formulations used USP Apparatus Type 2 rotating at 100 rpm. The ...
Novel drug compound hunting was carried out for SARS-CoV-2 proteins with low mutation susceptibil... more Novel drug compound hunting was carried out for SARS-CoV-2 proteins with low mutation susceptibility. The probability of escape mutation and drug resistance is lower if conserved microbial proteins are targeted by therapeutic drugs. Mutation rate of all SARS-CoV-2 proteins were analyzed via multiple sequence alignment Non-Structural Protein 13 and Non-Structural Protein 16 were selected for the current study due to low mutation rate among viral strains and significant functionality. Cross-species mutation rate analysis for NSP13 and NSP16 showed these are well-conserved proteins among four coronaviral species. Viral helicase inhibitors, identified using literature-mining, were docked against NSP13. Pharmacophore-based screening of 11,375 natural compounds was conducted for NSP16. Stabilities of top compounds inside human body were confirmed via molecular dynamic simulation. ADME properties and LD 50 values of the helicase inhibitors and Ambinter natural compounds were analyzed. Compounds against NSP13 showed binding affinities between −10 and −5.9 kcal/mol whereby ivermectin and scutellarein showed highest binding energies of −10 and −9.9 kcal/mol. Docking of 18 hit compounds against NSP16 yielded binding affinities between −8.9 and −4.1 kcal/mol. Hamamelitannin and deacyltunicamycin were the top compounds with binding affinities of −8.9 kcal/mol and −8.4 kcal/mol. The top compounds showed stable ligand-protein interactions in molecular dynamics simulation. The analyses revealed two hit compounds against each targeted protein displaying stable behavior, high binding affinity and molecular interactions. Conversion of these compounds into drugs after in vitro experimentation can become better treatment options to elevate COVID management.
Dhaka University Journal of Pharmaceutical Sciences
In Bangladesh, the incidence and death rate of patients suffering from dengue infection are escal... more In Bangladesh, the incidence and death rate of patients suffering from dengue infection are escalating. To date, there is no effective antiviral against dengue virus. Treatment regimen mostly includes symptomatic management of the disease. In this study, we performed molecular docking with 36 phytochemicals extracted from Bangladeshi medicinal plants namely Averrhoa carambola L., Curcuma longa L., Nyctanthes arbor-tristis L. and Zingiber officinale against dengue virus non-structural protein 2/non-structural protein 3 (NS2/NS3) chimera. The NS2/NS3 complex functions simultaneously as helicase/protease and/or RNA-tri-phosphatase. The compounds calceolarioside A, ᵞ-elemene, β-sitosterol, β-elemene and curcuminoid-D exhibited high binding affinity (ranging from -8.3 to -7.2 kJ/mol) towards the selected protein and their drug-likeness was confirmed via ADMET analysis. Hence, these compounds have the potential to inhibit viral replication as indicated by computational calculation. Howeve...
Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital ro... more Bone morphogenetic protein 1 (BMP1) is a member of the astacin superfamily. BMP1 plays a vital role in metastasis of mutant stem cells, which fail to repair damage of H. pylori infection in the stomach. Thus, bone marrow metastasis aggravates progression of gastric cancer (GC). In this study, the transcriptional expression, mutations, survival rate, TFs, miRNAs, gene ontology, and signaling pathways were analyzed using different servers. We found higher transcriptional and clinicopathological characteristics expression compared to normal tissues, worsening survival rate in GC. We detected 25 missenses, 15 truncating mutations, 23 TFs, and 8 miRNAs. Finally, we identified and analyzed the co-expressed genes and found that the leukemia inhibitory factor is the most positively correlated gene. The gene ontological features and signaling pathways involved in GC development were evaluated as well. We believe that this study will provide a basis for BMP1 to be a significant biomarker for human GC prognosis.
With the increasing rate of people being affected by cancer in Bangladesh, the disease has become... more With the increasing rate of people being affected by cancer in Bangladesh, the disease has become a national concern. Anti-cancer drugs play a significant and crucial role in cancer treatment regimen. Inadequate access to essential anti-cancer medicines may impose serious public health problems in Bangladesh. The present study gives an insight on the availability of eleven WHO enlisted essential anticancer drugs that are commonly prescribed for the top five prevalent cancer types (Breast, Oesophagus, Lung, Cervix, Lips and Oral cavity) in Bangladesh. Expert advice on which essential anti-cancer medicines are commonly prescribed were gathered from oncologists of three medical college hospitals (Dhaka Medical College Hospital (DMCH), Bangabandhu Sheikh Mujib Medical University (BSMMU) and National Institute of Cancer Research and Hospital (NICRH). The study was conducted among a total of 151 pharmaceutical drug stores including 119 retail, 27 model and 5 hospital pharmacies. The sampl...
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Papers by 69 Rumman Reza