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Coronavirus disease (COVID-19) is an infection of the respiratory system caused by single standard RNA viruses named as Severe Acute Respiratory Syndrome 2 (SARS-CoV-2). The disease appeared as a serious problem and the leading cause of death in human beings throughout the world. The main source of different phytochemicals are plants, which helps in the development of new drugs against various ailments. Islam is comprehensive religion and a complete code of life for Muslims. The teaching of Islam, according to the Holy Quran and Hadith are universal for the benefit of humanity. Islam believes that every ailment is from God and who made the disease definitely made its medication. There is a complete guideline with regard to taking measures against infectious diseases such as quarantine and seeking medicinal treatment. The research objective is to gather the knowledge of medicinal plants described in the Holy Quran or utilized by the Prophet (SAW) for the treatment of different ailments or advised to use them to boost immunity and strengthen the body. Scientists across the globe have found these plants beneficial for many diseases and have antiviral potential. In present study, the six plant species including Olea europaea , Nigella sativa, Allium Sativum, Allium cepa, Zingiber officinale and Cassia senna were selected which contain phytochemicals like Calcium Elenolate, Thymoquinone, S-Allylcysteine, Dipropyl Disulfide, Sesquiterpene, Monoterpene, Pelargonidin 3-Galactoside ion and Kaempferol. The phytochemicals monoterpene (from Zingiber officinale) shows best interaction with target proteins RdRP, 3CLPro, ACE2. Calcium Elonate (from olive) bonds with 3CLPro, ACE2 and Kemoferol and Pelargomidine (from Senna Makki) bonds with RdRP, ACE2. The ligands show a unique set of intersections i.e. hydrogen bonding, and alkyl interaction. These medicinal plants can be utilized immediately for the treatment of COVID-19 as their safety is already established. This treatment can enhance recovery when combined with other treatments. Furthermore, the screening of bioactive compounds or phytochemicals found in these plants can be utilized to design new therapeutic drug to treat COVID-19 pandemic.

Medicinal plants are the basic source of medicinal compounds traditionally used for the treatment of human diseases. Calotropis gigantea is a medicinal plant belonging to the family of Apocynaceae in the plant kingdom and subfamily Asclepiadaceae usually bearing multiple medicinal properties to cure a variety of diseases. Background: The Peptide Mass Fingerprinting (PMF) identifies the proteins from a reference protein database by comparing the amino acid sequence that is previously stored in a database and identified. Method: The calculation of insilico peptide masses is done through the ExPASy PeptideMass and these masses are used to identify the peptides from MASCOT online server. Anticancer probability is calculated from the iACP server, docking of active peptides is done by CABS-dock the server. Objective: The purpose of the study is to identify the peptides having anti-cancerous properties by in silico peptide mass fingerprinting. Results : The anti-cancer peptides are identified with the MASCOT peptide mass fingerprinting server, the identified peptides are screened and only the anti-cancer are selected. De-novo peptide structure prediction is used for 3D structure prediction by PEP-FOLD 3 server. The docking results confirm strong bonding with the interacting amino acids of the receptor protein of breast cancer BRCA1 which shows the best peptide binding to the active chain, the human leukemia protein docking with peptides shows the accurate binding. Conclusion : These peptides are stable and functional and are the best way for the treatment of cancer and many other deadly diseases.

Ischemic heart disease (IHD) or coronary artery disease (CAD) is one of the largest death-causing reasons in developing countries. Approximately, every year 15 million deaths due to IHD are reported worldwide. PLG (Plasminogen), PCSK9 (Proprotein Convertase Subtilisin/Kexin type 9), CXCL12 (C-X-C Motif Chemokine Ligand 12), and EDNRA (Endothelin Receptor type A) genes were selected for the study due to their higher rate of mutations in IHD. Drugs that are being used to cure IHD were reformulated by structurally modifying them for repurposing. Reformulated drugs were further analyzed for side effects, toxicity, and ADMET (Absorption, Distribution, Metabolism, Excreation, Toxicity) properties. Molecular docking studies of reformulated drugs with selected genes were performed to determine their efficacy to cure IHD. Interacting amino acid residues in the docked complex of aspirin were identified as Aspartic acid, Arginine, Tyrosine, Proline, Valine, Alanine, Threonine, Iso Leusine, Lysine, Triptophan, Aspargine, Histadine, Cystine. Similarly, for isoxsuprine the residues were Valine, Aspargine, Leucine, Argining, Iso Leucine, Glutamic acid, Lysine, Glycine, Proline, Threonine, Aspartic acid, Histadine and Arginine. In reformulated compounds, the addition of sulfur in the aspirin compound reduced the toxicity from class 3 to class 5 and in isoxsuprine, the addition of nitrogen hydrogen bond in the second aromatic ring reduced its toxicity from class 3 to class 4. It is suggested that both aspirin and isoxsuprine analogs are more effective having least predicted side effects and toxicities than already existing aspirin and isoxsuprine. In the future, these drugs can be used as potential drugs for the treatment of IHD than original drugs because of their low toxicity and side effects. This study can be validated in vitro to confirm its efficacy.

An rare pandemic of viral pneumonia occurs in December 2019 in Wuhan, China, which is now recognized internationally as Corona Virus Disease 2019 (COVID-19), the etiological agent classified as Severe Acute Respiratory Syndrome Corona Virus 2 (SARS-CoV-2). According to the World Health Organization (WHO), it has so far expanded to more than 213 countries/territories worldwide. Our study aims to find the viral peptides of SARS-COV-2 by peptide mass fingerprinting (PMF) in order to predict its novel structure and find an inhibitor for each viral peptide. For this reason, we calculated the mass of amino acid sequences translated from the SARS-CoV2 whole genome and identify the peptides that may be a target for inhibition. Molecular peptide docking with Moringa oleifera, phytochemicals (aqueous and ethanolic) leaf extracts of flavonoids (3.56 ± 0.03), (3.83 ± 0.02), anthraquinone (11.68 ± 0.04), (10.86 ± 0.06) and hydroxychloroquine present therapy of COVID-19 in Pakistan for comparative study. Results indicate that 15 peptides of SARS-CoV2 have been identified from PMF, which is then used as a selective inhibitor. The maximum energy obtained from AutoDock Vina for hydroxychloroquine is –5.1 kcal/mol, kaempferol (flavonoid) is –6.2 kcal/mol, and for anthraquinone –6 kcal/mol. Visualization of docking complex, important effects are observed regarding the binding of peptides to drug compounds. In conclusion, it is proposed that these compounds are effective antiviral agents against COVID-19 and can be used in clinical trials. Communicated by Ramaswamy H. Sarma

Lung Cancer is a type of serious cancer that causes 1.37 million deaths every year all over the world and accounts for almost 18% of all cancer death. PI3Ks establish a lipid kinase family that is important to integrate disparate dimensions of cell functions including cell survival, vesicular trafficking, proliferation, and cell migration. This is an essential pathway in the oncogenesis and advancement of lung cancer. In preclinical studies, PIK3 inhibitors deliver exploratory antitumor activity. The study was established to realize perception and molecular mechanisms that are crucial for potent inhibitors of PIK3CA. In this research work, mutated proteins of PIK3CA were selected, models of pharmacophore were designed and hit compounds were obtained against reference feature pharmacophore by virtual screening. These hit compounds were then docked with the mutated proteins of PIK3CA. Three important features were shown by Pharmacophores, Hydrogen bond donor (HBD), Hydrogen bond acceptors (HBA) and aromatic rings (AR). Through virtual screening, 8 hit compounds were obtained before docking Lipinski rule of five was applied and the compounds that achieved all properties were docked with mutated proteins of PIK3CA. 3 compounds fulfilled all properties and demonstrated the stability of ligands. It is suggested that these compounds can be used for curing PIK3CA involved in lung cancer and on the basis of shared feature novel compounds can be designed against a mutation in PIK3CA involved in lung cancer.

Maize flour was infested with fresh emerged Tribolium castaneum adults, and its nutritional composition was evaluated after 0, 45, and 90 days of the infestation. Furthermore, 99% carbon dioxide was applied to different developmental stages of T. castaneum for its management. There were six treatments and five replicates; for each replicate, maize flour (150 g) was taken in a 250-ml plastic jar container, insects were released in the flour, and jars were placed into the incubator at a temperature of 28 ± 1 °C, 60 ± 5% RH. Similarly, the application of 99% CO2 was done with four exposure times of 12, 24, 48, and 72 h, at 35 °C 65 ± 5% RH. Present results showed major fluctuations in the nutritive composition of maize flour. Increase in the moisture, fat, fiber, protein, and ash contents was directly proportional to the increase in infestation level and time, contrary to the depletion of carbohydrates and total weight loss. The results of CO2 treatment indicated that pupa was the most resilient stage as compared with larvae and adult stage. The observed susceptibility order was as follows: adult > larvae > pupae. The maximum mortality of adult, larval, and pupal stages was recorded after 24, 48, and 72 h of CO2 application, respectively. These findings might be helpful to develop an ecofriendly technique to manage this crucial pest.

RNA silencing is a novel gene regulatory mechanism that confines the transcript level by either preventing translation or by the initiation of particular RNA degradation. Small interfering RNAs are regularly represented as the exogenously made or viral inducers of RNAi. Such small RNAs have been used in biomedical research for particular repression of genes. A small hairpin RNA is an artificially synthesized RNA molecule with a hairpin or loop like structure, that is inserted into the designed siRNA to induce interference. In this research work, computational techniques are used to design the siRNA and shRNA against the P53 gene. Approximately four target sites are identified in the p53 gene to which the siRNA and shRNA can bind, for each target site the siRNAs and shRNAs are designed as complementary sequence of the target site. Furthermore, a small hairpin RNA is inserted as a loop in the designed siRNA molecules for better results. This computational analysis of siRNA and shRNA can be further used with the help of in-vitro exploratory techniques to check efficacy and adequacy. Keywords: Gene silencing, Interference, Motifs, P53, siRNA, shRNA

Carbon dioxide (CO2) occurs naturally in the atmosphere as a trace gas, which is produced naturally as well as by anthropogenic activities. CO2 is a readily available source of carbon that in principle can be used as a raw material for the synthesis of valuable products. The autotrophic organisms are naturally equipped to convert CO2 into biomass by obtaining energy from sunlight or inorganic electron donors. This autotrophic CO2 fixation has been exploited in biotechnology, and microbial cell factories have been metabolically engineered to convert CO2 into biofuels and other value-added bio-based chemicals. A variety of metabolic engineering efforts for CO2 fixation ranging from basic copy, paste, and fine-tuning approaches to engineering and testing of novel synthetic CO2 fixing pathways have been demonstrated. In this paper, we review the current advances and innovations in metabolic engineering for bio-conversion of CO2 into bio biofuels and other value-added bio-based chemicals.

Seed nutrients reserves have direct relationship with seed functional traits and influence offspring performance. Effects of plant density, foliage boron (B) nutrition and mepiquat chloride (MC) growth regulation on seed nutrients reserves, seed mass and production, and emergence and offspring growth traits of cotton were studied in two years field experiment. Seed nutrients reserves and seed mass were decreased at higher maternal plant density relative to lower plant density with concomitant decrease in emergence and offspring seedling growth. However, maternal foliage B nutrition and MC growth regulation enhanced seed nutrients reserves, seed mass, emergence and offspring seedling growth performance. There was a significant positive relationship between seed mass and seed nutrients reserves indicating that changes in nutrient availability/uptake in response to maternal ecological factors determine variation in seed functional traits. Nonetheless, seed mass was positively correlated with emergence percentage and negatively with emergence timing. Furthermore, variation in offspring seedling growth traits with seed mass indicated the significance of initial seed nutrients reserves for early seedling vigour and establishment. In conclusion, lower maternal plant density, B nutrition and MC growth regulation ensued in higher emergence and offspring seedling growth of cotton because of higher seed nutrient reserves and seed mass.

Jabran, Khawar/0000-0001-8512-3330; WOS: 000436879200076 PubMed: 29691745 Plants in Brassica genus have been found to possess strong allelopathic potential. They may inhibit seed germination and emergence of subsequent crops following them in a rotation system. Series of laboratory and greenhouse experiments were conducted to determine the allelopathic impacts of Brassica napus L. against mung bean. We studied (1) the effects of aqueous extract (5%) of different plant parts (root, stem, leaf, flower, and whole plant) of B. napus, (2) the effects of leaf and flower extracts of B. napus at 0, 1, 2, 3, and 4% concentrations, and (3) the effect of residues of different B. napus plant parts and decomposition periods (0, 7, 14, and 21 days) on germination and seedling growth of mung bean. Various types of phenolics including quercitin, chlorogenic acid, p-coumeric acid, m-coumaric acid, benzoic acid, caffeic acid, syringic acid, vanillic acid, ferulic acid, cinamic acid, and gallic acid were identified in plant parts of B. napus. Among aqueous extracts of various plant parts, leaf and flower were found to have stronger inhibitory effects on germination and seedling growth traits of mung bean, higher concentrations were more toxic. The decomposition period changed the phtotoxic effect of residues, more inhibitory effect was shown at 14 days decomposition while decomposition for 21 days reduced inhibitory effect. The more total water-soluble phenolic was found in 5% (w/v) aqueous extract and 5% (w/w) residues of B. napus flowers at 14 days of decomposition (89.80 and 10.47 mg L-1), respectively. The strong inhibitory effects of B. napus should be managed when followed in rotation.

Hepatitis C Virus (HCV) infection is a major health concern worldwide. The presence of both HCV viral RNA and NS5A proteins in peripheral blood mononuclear cells (PBMCs) indicate the efficacy of the treatment during sustained virological response (SVR) and end of treatment response (ETR). The main objective of this study was to detect the absence or presence of HCV RNA and NS5A proteins in PBMCs. Blood samples were taken from selected patients (Islamabad, Pakistan) before treatment, at ETR, and during SVR. Two hundred HCV responders to pegylated IFN-α-2a plus ribavirin were selected. HCV RNA was extracted from the patients to determine the viral load by reverse transcription (RT)-polymerase chain reaction before treatment. Out of 200 patients, 152 (76%) and 48 (24%) achieved positive and negative ETR, respectively. Among ETR patients, 134 (88.2%) showed SVR, whereas 18 (11.8%) displayed relapse. The male to female ratio was 92:108 with mean age of 37.4 years. Among 152 ETR-positive patients, 29 (19%) patients' PBMCs were positive for HCV RNA and 27 (17.8%) were positive for NS55A proteins. Patients having HCV RNA in PBMCs showed higher relapse frequency compared with patients lacking it. Similarly, patients having NS5A protein showed significantly higher relapse frequency compared with patients lacking it. All PBMC-positive samples were of genotype 3a. In addition, patients with positive NS5A in their PBMCs showed greater risk of relapse compared with patients having HCV RNA. We conclude that the absence of both viral HCV and proteins can be used as an indicator for diagnosis of SVR in the future.

Alternanthera species are invasive aquatic/semi-aquatic weeds posing a serious threat to agro-biodiversity in several countries in the world. The present study was conducted to assess the phytotoxic effects of Alternanthera philoxeroides and A. sessilis residues on emergence and early seedling growth traits of rice (Oryza sativa). Soil was prepared with 4% (w/w) Alternanthera species residues separately and allowed to decay for 0, 15 and 30 days. Rice emergence was significantly decreased but increase in mean emergence time and time to 50% emergence was observed in soils modified with Alternanthera species residues compared with seed sown in unmodified soils. Rice emergence was reduced to 50-67% and 52-75% by A. sessilis and A. philoxeroides, respectively. A significant reduction in rice root, shoot length, and biomass was also noted with Alternanthera-infested soil. Total phenolics increased with increasing residue decay time in both species thereby showing their direct interaction with emergence and seedling traits of rice. The phenolic compounds identified were namely Quercitin, Chlorogenic acid, P-Coumeric acid, Trans-4-hydroxy3-methoxy, Cinamic acid, Caffeic acid, Syringic acid, Sinapic acid, Vanillic acid, 4-hydroxy-3-methoxy benzoic acid. RESUMO As espécies do gênero Alternanthera são plantas daninhas aquáticas/semiaquáticas invasoras que representam uma ameaça grave para a agrobiodiversidade em diversos países do mundo. O presente estudo foi realizado para avaliar os efeitos fitotóxicos dos resíduos de Alternanthera philoxeroides e A. sessilis nas características de emergência e crescimento inicial de plântulas de arroz (Oryza sativa). O solo foi preparado com resíduos de espécies de Alternanthera – 4% (w/w) – separadamente, que foram submetidas a um período de decomposição de 0, 15 e 30 dias. Houve redução significativa da emergência do arroz, porém foi observado aumento no tempo médio de emergência e no tempo para emergência de 50% em solos modificados com resíduos de espécies de Alternanthera, em comparação com sementes semeadas em solos não modificados. A emergência do arroz com A. sessilis e A. philoxeroides foi reduzida para 50-67% e 52-75%, respectivamente. Uma redução significativa do comprimento da raiz do arroz, da parte aérea e da biomassa também foi observada no solo infestado com as espécies de Alternanthera. Também ocorreu aumento dos fenólicos totais à medida que aumentou o tempo de decomposição dos resíduos em ambas as espécies, mostrando, assim, interação direta com as características de emergência e crescimento de plântulas de arroz. Foram identificados os compostos fenólicos quercetina, ácido clorogênico, ácido p-cumárico, trans-4-hidroxi-3-metoxi, ácido cinâmico, ácido cafeico, ácido siríngico, ácido sinápico, ácido vanílico e ácido benzoico 4-hidroxi-3-metoxi.

In this article, we present results obtained from a radiometric survey that was conducted in the Leepa Valley of Azad Jammu & Kashmir, Pakistan. The purpose of current study is to appraise the radioactivity levels and the associated health hazards due to the terrestrial radionuclide in soil and rock samples. In this regard, 16 soil and 17 rock samples were collected from different locations of the Leepa Valley. After processing the samples, activity concentrations of primordial (232Th, 226Ra and 40K) and anthropogenic (137Cs) radionuclides were determined using a P-type coaxial high purity germanium detector. From the results obtained the mean activity concentrations of radionuclides 226Ra, 232Th and 40K in the soil samples were found to be 31.25 ± 0.46, 44.1 ± 1.07 and 575 ± 8.89 Bq kg−1 respectively. Whilst, in rock samples 226Ra, 232Th and 40K mean activities were found as 28.46 ± 0.45, 48.63 ± 1.12 and 666.7 ± 9.39 Bq kg−1, respectively. The 137Cs concentration level in soil and rock samples is found to be 15.04 ± 0.29 and 5.7 ± 0.16 Bq kg−1, respectively. The average radium equivalent activity (R aeq) was found as 143.16 and 142.93 Bq kg−1 in soil and rock samples, respectively. These findings are less than the recommended safe value of 370 Bq kg−1 as given in OECD report (1979). The values of external (H ex) and internal hazard index (H in) are also less than unity. Mean value of absorbed dose rate was found as 69.78 nGy h−1 for the soil samples, which is in good agreement with the world wide average value (70 nGy h−1). Mean value of absorbed dose rate from rock samples was found as 70.01 nGy h−1. Mean values of the annual effective dose is also lower than the values reported for different other countries of the world.

Background: Mutations of Estrogen receptors 1 affect its ligand-binding domain and results in the formation of breast cancer. Breast cancer is a known universal disease and the second leading reason behind the death of most females. About 70% of breast cancers express the estrogen receptor. This study was undertaken to realize perceptions into molecular mechanisms and structural necessities that are crucial for potential inhibition of ESR1. Methods: In this research ESR1 proteins were selected and pharmacophore models were generated, virtual screening was done to obtain hit compounds against reference shared feature pharmacophore, the hit compounds were docked with ESR1 proteins. Results: The pharmacophore displayed three main features Hydrogen bond acceptor, Hydrogen bond donor and aromatic rings. 10 hit compounds were obtained by virtual screening; compounds were further sorted for Lipinski rule of five before docking. Compounds that fulfill all properties of Lipinski rule of five were docked with proteins, 3 compounds demonstrated ideal docking results. They fit appropriately in the pocket of proteins which demonstrated the soundness and stability of ligand compounds. Conclusion: It is suggested that these three compounds can be used in the treatment of ESR1 mutations in breast cancer and novel compounds can be designed on the basis of shared feature pharmacophore model for the treatment of ESR1 mutations in breast cancer.